Geometry & MOs

Info

ID:	281096
PubChem CID:	103852952
Reduced:	BrN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	312.04734
ΔH_f, kcal/mol:	-82.24
Dipole, Da:	4.86
IP(EA), eV:	-9.64(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CCNC(=O)CNC(=O)C1=CC=CC(=C1Br)C

DOS

IR

Vibrations