Geometry & MOs

Info

ID:	251269
PubChem CID:	103102642
Reduced:	BrClN2O2C11H12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	317.97707
ΔH_f, kcal/mol:	-68.5
Dipole, Da:	2.18
IP(EA), eV:	-9.95(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-3-bromo-2-chloro-N-ethylbenzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=CC(=C(C=C1)Br)Cl

DOS

IR

Vibrations