Geometry & MOs

Info

ID:	7191
PubChem CID:	71499
Reduced:	ClN3C24H24 (1)
Stoich.:	AB3C24D24 (1)
Weight, g/mol:	389.165876
ΔH_f, kcal/mol:	71.04
Dipole, Da:	0.76
IP(EA), eV:	-7.63(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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.[Cl-]

DOS

IR

Vibrations