Geometry & MOs

Info

ID:	446033
PubChem CID:	135271804
Reduced:	NOH37C56 (1)
Stoich.:	ABC37D56 (1)
Weight, g/mol:	660.256549
ΔH_f, kcal/mol:	207.77
Dipole, Da:	0.95
IP(EA), eV:	-8.01(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbazol-9-ylphenyl)-N-phenanthren-4-yltriphenylen-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC6=C5OC7=CC=CC=C67)C8=CC=CC9=C8C1=CC=CC=C1C=C9)C1=CC=CC=C1

DOS

IR

Vibrations