Geometry & MOs

Info

ID:	288026
PubChem CID:	104308649
Reduced:	ClON2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	211.05124
ΔH_f, kcal/mol:	-7.41
Dipole, Da:	3.28
IP(EA), eV:	-9.24(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations