Geometry & MOs

Info

ID:	428186
PubChem CID:	135166408
Reduced:	NH24C39 (2)
Stoich.:	AB24C39 (2)
Weight, g/mol:	890.366099
ΔH_f, kcal/mol:	357.02
Dipole, Da:	0.53
IP(EA), eV:	-8.08(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-4-yl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=CC=CC=C3C4=CC=CC=C4N(C5=CC=CC6=C5C7=CC=CC=C7C68C9=CC=CC=C9C1=CC=CC=C81)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C2C(=C1)C=CC=C2C3=CC=CC=C3C4=CC=CC=C4N(C5=CC=CC6=C5C7=CC=CC=C7C68C9=CC=CC=C9C1=CC=CC=C81)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C2C(=C1)C=CC=C2C3=CC=CC=C3C4=CC=CC=C4N(C5=CC=CC6=C5C7=CC=CC=C7C68C9=CC=CC=C9C1=CC=CC=C81)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):