Geometry & MOs

Info

ID:	209401
PubChem CID:	80666118
Reduced:	BrClN2O3C11H12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	335.00878
ΔH_f, kcal/mol:	-36.61
Dipole, Da:	6.91
IP(EA), eV:	-9.9(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)C1=C(C=CC=C1Cl)[N+](=O)[O-])Br

DOS

IR

Vibrations