Geometry & MOs

Info

ID:	9587
PubChem CID:	91262
Reduced:	N5H28C30 (1)
Stoich.:	A5B28C30 (1)
Weight, g/mol:	458.234471
ΔH_f, kcal/mol:	145.72
Dipole, Da:	4.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.701152
Charge, e:	1

Chem-info

IUPAC name:

1,3-diethyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]imidazo[4,5-b]quinoxalin-3-ium

Drug info:

PubChemData

Smile

CCN1C(=[N+](C2=NC3=CC=CC=C3N=C21)CC)C=CC4=C(N(C5=CC=CC=C54)C)C6=CC=CC=C6

DOS

IR

Vibrations