Geometry & MOs

Info

ID:	277081
PubChem CID:	103826633
Reduced:	BrClN2O2H10C15 (1)
Stoich.:	ABC2D2E10F15 (1)
Weight, g/mol:	331.99272
ΔH_f, kcal/mol:	-0.68
Dipole, Da:	1.14
IP(EA), eV:	-9.3(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC#N)NC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations