Geometry & MOs

Info

ID:	277091
PubChem CID:	103826680
Reduced:	BrClON3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	340.99305
ΔH_f, kcal/mol:	-9.35
Dipole, Da:	2.44
IP(EA), eV:	-8.7(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)NC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations