Geometry & MOs

Info

ID:	162210
PubChem CID:	57393949
Reduced:	SO5H22C25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	416.14784
ΔH_f, kcal/mol:	-87.04
Dipole, Da:	9.78
IP(EA), eV:	-9.35(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine;hydrochloride

Drug info:

PubChemData

Smile

CCCS(=O)(=O)C1=CC=CC(=C1)C#CC2=C(C=CC=C2OCC(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations