Geometry & MOs

Info

ID:	121542
PubChem CID:	50772862
Reduced:	ON3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	329.073118
ΔH_f, kcal/mol:	40.52
Dipole, Da:	6.41
IP(EA), eV:	-9.26(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNC(=O)C2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations