Geometry & MOs

Info

ID:	73139
PubChem CID:	48417065
Reduced:	FO2N5H10C13 (1)
Stoich.:	AB2C5D10E13 (1)
Weight, g/mol:	303.052302
ΔH_f, kcal/mol:	-24.28
Dipole, Da:	7.08
IP(EA), eV:	-9.51(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-amino-4-cyanopyrazol-1-yl)-2-oxoethyl]-2-chlorobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCC(=O)N2C(=C(C=N2)C#N)N)F

DOS

IR

Vibrations