Geometry & MOs

Info

ID:	137774
PubChem CID:	52259485
Reduced:	FN2O5C19H19 (1)
Stoich.:	AB2C5D19E19 (1)
Weight, g/mol:	396.0121
ΔH_f, kcal/mol:	-134.17
Dipole, Da:	10.12
IP(EA), eV:	-9.39(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-bromophenyl)ethyl]-2-(2-fluoro-4-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations