Geometry & MOs

Info

ID:	288124
PubChem CID:	104311769
Reduced:	BrNOCl2H8C13 (1)
Stoich.:	ABCD2E8F13 (1)
Weight, g/mol:	372.92484
ΔH_f, kcal/mol:	10.45
Dipole, Da:	4.83
IP(EA), eV:	-9.4(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2,5-dimethylpyrazol-3-yl)-1-(3-bromopyridin-2-yl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C(=O)CC2=CC(=C(C=C2)Cl)Cl)Br

DOS

IR

Vibrations