Geometry & MOs

Info

ID:	277094
PubChem CID:	103826686
Reduced:	BrClN2O3H10C14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	315.00255
ΔH_f, kcal/mol:	-4.87
Dipole, Da:	5.59
IP(EA), eV:	-10.18(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-propan-2-yl-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)C2=CC(=CC(=C2)Br)Cl)[N+](=O)[O-]

DOS

IR

Vibrations