Geometry & MOs

Info

ID:	288024
PubChem CID:	104308634
Reduced:	ClO2N3C8H8 (1)
Stoich.:	AB2C3D8E8 (1)
Weight, g/mol:	196.040341
ΔH_f, kcal/mol:	-35.42
Dipole, Da:	4.72
IP(EA), eV:	-9.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-(4-methyl-2-oxopyridin-1-yl)propanenitrile

Drug info:

PubChemData

Smile

CN1C=CN(C(=O)C1=O)CC(C#N)Cl

DOS

IR

Vibrations