Geometry & MOs

Info

ID:	30476
PubChem CID:	841392
Reduced:	FN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	318.101585
ΔH_f, kcal/mol:	-96.13
Dipole, Da:	7.83
IP(EA), eV:	-9.33(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-fluoro-3-nitrophenyl)-2-(3-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations