Geometry & MOs

Info

ID:	7192
PubChem CID:	71500
Reduced:	NC8H8 (3)
Stoich.:	AB8C8 (3)
Weight, g/mol:	354.197023
ΔH_f, kcal/mol:	91.07
Dipole, Da:	4.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.172207
Charge, e:	1

Chem-info

IUPAC name:

2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-1-methylquinolin-1-ium-6-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)N)C

DOS

IR

Vibrations