Geometry & MOs

Info

ID:	269528
PubChem CID:	103617852
Reduced:	BrN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	331.99272
ΔH_f, kcal/mol:	-114.93
Dipole, Da:	4.72
IP(EA), eV:	-9.41(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-bromo-2-chlorobenzamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC(=C(C=C1)OC)Br)C(=O)N

DOS

IR

Vibrations