Geometry & MOs

Info

ID:	141165
PubChem CID:	52829302
Reduced:	F3N3O5C18H22 (1)
Stoich.:	A3B3C5D18E22 (1)
Weight, g/mol:	417.151155
ΔH_f, kcal/mol:	-252.64
Dipole, Da:	6.84
IP(EA), eV:	-9.38(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[(2S)-oxan-2-yl]oxypiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCO[C@@H](C1)ONC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations