Geometry & MOs

Info

ID:	69867
PubChem CID:	47205628
Reduced:	ClON3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	331.00687
ΔH_f, kcal/mol:	32.52
Dipole, Da:	3.56
IP(EA), eV:	-8.81(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=CC(=O)NC2=CNN=C2)Cl

DOS

IR

Vibrations