Geometry & MOs

Info

ID:	36899
PubChem CID:	8014428
Reduced:	N3O5C18H26 (1)
Stoich.:	A3B5C18D26 (1)
Weight, g/mol:	358.150427
ΔH_f, kcal/mol:	-135.42
Dipole, Da:	5.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757542
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-]

DOS

IR

Vibrations