Geometry & MOs

Info

ID:	69430
PubChem CID:	47170047
Reduced:	SN2O4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	289.09819
ΔH_f, kcal/mol:	-108.88
Dipole, Da:	8.92
IP(EA), eV:	-9.22(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N

DOS

IR

Vibrations