Geometry & MOs

Info

ID:	193772
PubChem CID:	78434624
Reduced:	O3C15H17 (1)
Stoich.:	A3B15C17 (1)
Weight, g/mol:	357.067377
ΔH_f, kcal/mol:	-57.01
Dipole, Da:	3.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779144
Charge, e:	1

Chem-info

IUPAC name:

2-[3,5-dicyano-4-(2,6-dichlorophenyl)-6-methylpyridin-2-yl]ethenyl-dimethylazanium

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C=CC(=O)CCC(=O)[O-]

DOS

IR

Vibrations