Geometry & MOs

Info

ID:	145889
PubChem CID:	53608185
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	318.088353
ΔH_f, kcal/mol:	-1.6
Dipole, Da:	5.08
IP(EA), eV:	-8.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-4-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)CONC(=O)CC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations