Geometry & MOs

Info

ID:	277124
PubChem CID:	103826865
Reduced:	BrClN2O3H10C14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	340.99305
ΔH_f, kcal/mol:	-5.33
Dipole, Da:	3.05
IP(EA), eV:	-10.18(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-(1-propan-2-ylpyrazol-4-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])CNC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations