Geometry & MOs

Info

ID:	341828
PubChem CID:	127264521
Reduced:	FNO2H6C9 (1)
Stoich.:	ABC2D6E9 (1)
Weight, g/mol:	182.983554
ΔH_f, kcal/mol:	-84.78
Dipole, Da:	3.23
IP(EA), eV:	-10.11(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-nitropyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(C(=C1)C#N)F)O

DOS

IR

Vibrations