Geometry & MOs

Info

ID:	298422
PubChem CID:	117649405
Reduced:	ON3H35C54 (1)
Stoich.:	AB3C35D54 (1)
Weight, g/mol:	699.267448
ΔH_f, kcal/mol:	214.52
Dipole, Da:	0.6
IP(EA), eV:	-8.17(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[9-(6-carbazol-9-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)N5C6=CC=CC=C6C7=C5C=C(C=C7)C8=CC9=C(C=C8)C1=CC=CC=C1N9C1=CC=C(C=C1)OC1=CC=CC=C1

DOS

IR

Vibrations