Geometry & MOs

Info

ID:	325381
PubChem CID:	126683006
Reduced:	N3H29C47 (1)
Stoich.:	A3B29C47 (1)
Weight, g/mol:	635.236148
ΔH_f, kcal/mol:	457.4
Dipole, Da:	6.05
IP(EA), eV:	-7.93(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4aZ,8aZ,12aZ,16aZ)-tetraphenylen-2-yl]-8-carbazol-9-ylpyrido[4,3-b]indole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC5=C(C=C4)N(C6=C5N=CC=C6)C7=C/C/8=C/9\C=CC=C\C9=C\1/C=CC=C/C1=C/1\C=CC=C\C1=C8/C=C7

DOS

IR

Vibrations