Geometry & MOs

Info

ID:	279185
PubChem CID:	103841920
Reduced:	BrClON2H8C12 (1)
Stoich.:	ABCD2E8F12 (1)
Weight, g/mol:	326.9774
ΔH_f, kcal/mol:	15.51
Dipole, Da:	4.18
IP(EA), eV:	-9.78(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=CC=NC=C2)Br)Cl

DOS

IR

Vibrations