Geometry & MOs

Info

ID:	401407
PubChem CID:	135051186
Reduced:	SN2O4C10H12 (1)
Stoich.:	AB2C4D10E12 (1)
Weight, g/mol:	158.071822
ΔH_f, kcal/mol:	-68.1
Dipole, Da:	7.54
IP(EA), eV:	-9.9(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CN(S(=O)(=O)C2)C)C=C1)[N+](=O)[O-]

DOS

IR

Vibrations