Geometry & MOs

Info

ID:	30353
PubChem CID:	841183
Reduced:	BrNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	331.05718
ΔH_f, kcal/mol:	-21.49
Dipole, Da:	3.6
IP(EA), eV:	-8.9(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)[C@@H](C)NC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations