Geometry & MOs

Info

ID:	8230
PubChem CID:	75579
Reduced:	NOC4H5 (1)
Stoich.:	ABC4D5 (1)
Weight, g/mol:	83.037114
ΔH_f, kcal/mol:	-18.24
Dipole, Da:	2.14
IP(EA), eV:	-10.9(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxobutanenitrile

Drug info:

PubChemData

Smile

CC(=O)CC#N

DOS

IR

Vibrations