Geometry & MOs

Info

ID:	30352
PubChem CID:	841182
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	331.05718
ΔH_f, kcal/mol:	3.43
Dipole, Da:	7.65
IP(EA), eV:	-8.8(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2=NN(C(=C2[N+](=O)[O-])C)C

DOS

IR

Vibrations