Geometry & MOs

Info

ID:	275720
PubChem CID:	103817250
Reduced:	ON4C7H8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	240.005018
ΔH_f, kcal/mol:	23.32
Dipole, Da:	7.47
IP(EA), eV:	-9.8(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(cyanomethyl)-5-nitropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(N=C1)C(=O)NCC#N

DOS

IR

Vibrations