Geometry & MOs

Info

ID:	436735
PubChem CID:	135208659
Reduced:	OH24C40 (1)
Stoich.:	AB24C40 (1)
Weight, g/mol:	848.41305
ΔH_f, kcal/mol:	141.99
Dipole, Da:	1.18
IP(EA), eV:	-8.17(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14,14-dimethyl-2-N,9-N-dinaphthalen-1-yl-2-N,9-N-dinaphthalen-2-yl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,8,10,15,17-heptaene-2,9-diamine

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=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=C6C(=CC7=CC=CC=C75)C8=C(O6)C=CC9=CC=CC=C98

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=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=C6C(=CC7=CC=CC=C75)C8=C(O6)C=CC9=CC=CC=C98

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):