Geometry & MOs

Info

ID:	295243
PubChem CID:	117523104
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	174.079313
ΔH_f, kcal/mol:	-67.87
Dipole, Da:	0.61
IP(EA), eV:	-8.82(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-oxo-3-pyridin-2-ylpropanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCC(=O)CNC

DOS

IR

Vibrations