Geometry & MOs

Info

ID:	34136
PubChem CID:	7890005
Reduced:	N2F3O5H15C17 (1)
Stoich.:	A2B3C5D15E17 (1)
Weight, g/mol:	354.082741
ΔH_f, kcal/mol:	-245.94
Dipole, Da:	6.9
IP(EA), eV:	-9.41(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-nitrophenyl)-2-[4-(trifluoromethyl)phenoxy]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)OC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations