Geometry & MOs

Info

ID:	15167
PubChem CID:	431695
Reduced:	ON2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	151.087138
ΔH_f, kcal/mol:	-16.35
Dipole, Da:	3.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.999216
Charge, e:	1

Chem-info

IUPAC name:

2-(4-methylpyridin-1-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=[N+](C=C1)CC(=O)N

DOS

IR

Vibrations