Geometry & MOs

Info

ID:	376262
PubChem CID:	134222272
Reduced:	NH16C25 (2)
Stoich.:	AB16C25 (2)
Weight, g/mol:	660.256549
ΔH_f, kcal/mol:	219.0
Dipole, Da:	1.88
IP(EA), eV:	-8.04(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-11-phenylbenzo[a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC9=CC=CC=C9C=C8)C1=C2C=CC2=CC=CC=C21

DOS

IR

Vibrations