Geometry & MOs

Info

ID:	52167
PubChem CID:	12014963
Reduced:	NNaO3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	163.038176
ΔH_f, kcal/mol:	-146.98
Dipole, Da:	8.23
IP(EA), eV:	-8.96(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-nitropyridin-2-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CCC(=O)C(=O)[O-].[Na+]

DOS

IR

Vibrations