Geometry & MOs

Info

ID:	227824
PubChem CID:	87562594
Reduced:	N2O6C15H28 (1)
Stoich.:	A2B6C15D28 (1)
Weight, g/mol:	384.090861
ΔH_f, kcal/mol:	-286.89
Dipole, Da:	6.35
IP(EA), eV:	-8.99(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5R,6S)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-3-yl]carbamic acid

Drug info:

PubChemData

Smile

C1CC[N+](C1)(CCO)C(C(=O)O)(C(=O)O)[N+]2(CCCC2)CCO

DOS

IR

Vibrations