Geometry & MOs

Info

ID:	327739
PubChem CID:	126690932
Reduced:	NC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	480.174573
ΔH_f, kcal/mol:	61.69
Dipole, Da:	2.14
IP(EA), eV:	-7.98(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[[6-(2,6-dimethoxyphenyl)-3-methyl-1,3-benzothiazol-2-ylidene]methyl]-1-prop-2-ynylquinolin-1-ium-2-amine

Drug info:

PubChemData

Smile

CC1=CCC2=CC=CC=C2N1CC3=CC=NC=C3

DOS

IR

Vibrations