Geometry & MOs

Info

ID:	327741
PubChem CID:	126690935
Reduced:	N3C20H23 (1)
Stoich.:	A3B20C23 (1)
Weight, g/mol:	499.18441
ΔH_f, kcal/mol:	71.16
Dipole, Da:	1.97
IP(EA), eV:	-7.77(0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[4-[3-(3-methyl-6-phenyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]methyl]phenol

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CCC3=CC=CC=C3N2CC4=CC=CC=C4

DOS

IR

Vibrations