Geometry & MOs

Info

ID:	30461
PubChem CID:	841366
Reduced:	FN2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	332.117235
ΔH_f, kcal/mol:	-107.76
Dipole, Da:	8.7
IP(EA), eV:	-9.37(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3,5-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)O[C@@H](C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C

DOS

IR

Vibrations