Geometry & MOs

Info

ID:	199077
PubChem CID:	79195060
Reduced:	O2N3H7C8 (1)
Stoich.:	A2B3C7D8 (1)
Weight, g/mol:	227.014247
ΔH_f, kcal/mol:	-8.68
Dipole, Da:	7.25
IP(EA), eV:	-10.16(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyano-2,4-difluoro-5-nitrobenzamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C(=O)NC#N

DOS

IR

Vibrations