Geometry & MOs

Info

ID:	272295
PubChem CID:	103738068
Reduced:	OF4N4H6C8 (1)
Stoich.:	AB4C4D6E8 (1)
Weight, g/mol:	305.031567
ΔH_f, kcal/mol:	-157.86
Dipole, Da:	6.32
IP(EA), eV:	-9.76(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(4-cyano-1-methylpyrazol-3-yl)-2-nitrobenzamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC(=O)C(C(F)F)(F)F)C#N

DOS

IR

Vibrations