Geometry & MOs

Info

ID:	39449
PubChem CID:	8140845
Reduced:	N4O5C14H14 (1)
Stoich.:	A4B5C14D14 (1)
Weight, g/mol:	360.04734
ΔH_f, kcal/mol:	-63.55
Dipole, Da:	6.03
IP(EA), eV:	-10.4(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)NC(=O)C2CC2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations