Geometry & MOs

Info

ID:	73140
PubChem CID:	48417067
Reduced:	ClO2N5H10C13 (1)
Stoich.:	AB2C5D10E13 (1)
Weight, g/mol:	297.122575
ΔH_f, kcal/mol:	12.91
Dipole, Da:	6.88
IP(EA), eV:	-9.5(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-amino-4-cyanopyrazol-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations