Geometry & MOs

Info

ID:	269081
PubChem CID:	103611367
Reduced:	BrClN2O2H12C15 (1)
Stoich.:	ABC2D2E12F15 (1)
Weight, g/mol:	341.0182
ΔH_f, kcal/mol:	-51.14
Dipole, Da:	6.72
IP(EA), eV:	-8.4(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)Br

DOS

IR

Vibrations