Geometry & MOs

Info

ID:	298414
PubChem CID:	117649347
Reduced:	O2N3H39C60 (1)
Stoich.:	A2B3C39D60 (1)
Weight, g/mol:	649.251798
ΔH_f, kcal/mol:	208.17
Dipole, Da:	2.24
IP(EA), eV:	-7.83(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)OC7=CC=CC=C7)C8=CC9=C(C=C8)N(C1=CC=CC=C19)C1=CC=CC=C1)C1=C2C=CC(=C1)OC1=CC=CC=C1

DOS

IR

Vibrations