Geometry & MOs

Info

ID:	300551
PubChem CID:	121360504
Reduced:	NO3C17H28 (2)
Stoich.:	AB3C17D28 (2)
Weight, g/mol:	458.153147
ΔH_f, kcal/mol:	-337.42
Dipole, Da:	4.46
IP(EA), eV:	-9.4(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-di(carbazol-9-yl)benzene-1,4-dicarbonitrile

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCN(CC(=O)O)CC(=O)O)C)C

DOS

IR

Vibrations