Geometry & MOs

Info

ID:	251268
PubChem CID:	103102628
Reduced:	BrO2N3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	317.97707
ΔH_f, kcal/mol:	-43.58
Dipole, Da:	3.89
IP(EA), eV:	-9.32(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-4-bromo-3-chloro-N-ethylbenzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=CC(=CN1C2CC2)Br

DOS

IR

Vibrations