Geometry & MOs

Info

ID:	413944
PubChem CID:	135086895
Reduced:	ClN2O2H7C8 (1)
Stoich.:	AB2C2D7E8 (1)
Weight, g/mol:	163.050752
ΔH_f, kcal/mol:	-26.19
Dipole, Da:	5.23
IP(EA), eV:	-10.65(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 3-cyanopyridin-1-ium-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[N+]1=CC=CC(=C1)C#N.[Cl-]

DOS

IR

Vibrations