Geometry & MOs

Info

ID:	315550
PubChem CID:	126627577
Reduced:	N3H35C53 (1)
Stoich.:	A3B35C53 (1)
Weight, g/mol:	662.247047
ΔH_f, kcal/mol:	246.15
Dipole, Da:	2.73
IP(EA), eV:	-8.17(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyridin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=CC=C3)C4=NC(=CC=C4)N5C6=C(C=C(C=C6)C7=CC8=C(C=C7)C9=CC=CC=C9N8C1=CC=CC=C1)C1=CC=CC=C15

DOS

IR

Vibrations