Geometry & MOs

Info

ID:	121545
PubChem CID:	50772962
Reduced:	FON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	359.00695
ΔH_f, kcal/mol:	-39.43
Dipole, Da:	5.09
IP(EA), eV:	-9.4(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=CN(N=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations