Geometry & MOs

Info

ID:	449411
PubChem CID:	135298374
Reduced:	NSH19C34 (1)
Stoich.:	ABC19D34 (1)
Weight, g/mol:	683.2613
ΔH_f, kcal/mol:	173.99
Dipole, Da:	1.32
IP(EA), eV:	-8.31(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(11,11-diphenylbenzo[b]fluoren-3-yl)-5-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

Drug info:

PubChemData

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=C3C(=CC2=C1)C4=C(S3)C=C(C=C4)C5=CC6=C(C=C5)N7C8=CC=CC=C8C9=C7C6=CC=C9

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=C3C(=CC2=C1)C4=C(S3)C=C(C=C4)C5=CC6=C(C=C5)N7C8=CC=CC=C8C9=C7C6=CC=C9

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):