Geometry & MOs

Info

ID:	327765
PubChem CID:	126691012
Reduced:	NC8H9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	567.150917
ΔH_f, kcal/mol:	98.5
Dipole, Da:	3.99
IP(EA), eV:	-8.54(0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-benzyl-2-chloro-4-[[6-(2,6-dimethoxyphenyl)-3-methyl-1,3-benzothiazol-2-ylidene]methyl]quinolin-1-ium-6-ol

Drug info:

PubChemData

Smile

C=C\1C/C=C\N(C/C=C\C=C1)CC2=CC=NC=C2

DOS

IR

Vibrations