Geometry & MOs

Info

ID:	128506
PubChem CID:	51047484
Reduced:	O2F4N6H16C21 (1)
Stoich.:	A2B4C6D16E21 (1)
Weight, g/mol:	359.00695
ΔH_f, kcal/mol:	-158.04
Dipole, Da:	1.75
IP(EA), eV:	-9.9(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)CN2C3=C(C(=O)N(C=N3)CC(=O)NCC4=CC=C(C=C4)F)N=N2

DOS

IR

Vibrations