Geometry & MOs

Info

ID:	121543
PubChem CID:	50772960
Reduced:	ClFON3H13C17 (1)
Stoich.:	ABCD3E13F17 (1)
Weight, g/mol:	329.073118
ΔH_f, kcal/mol:	-7.89
Dipole, Da:	5.83
IP(EA), eV:	-8.8(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)C2=CN(N=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations