Geometry & MOs

Info

ID:	288025
PubChem CID:	104308646
Reduced:	ClON2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	196.040341
ΔH_f, kcal/mol:	-11.41
Dipole, Da:	4.37
IP(EA), eV:	-9.46(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C=C1)CC(C#N)Cl

DOS

IR

Vibrations