Geometry & MOs

Info

ID:	231486
PubChem CID:	87573874
Reduced:	PN2O10C15H21 (1)
Stoich.:	AB2C10D15E21 (1)
Weight, g/mol:	466.224341
ΔH_f, kcal/mol:	-338.19
Dipole, Da:	8.84
IP(EA), eV:	-9.62(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(3-ethylphenyl)-3-fluorophenyl]-4-hydroxy-4-piperidin-3-ylbutyl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CNCCOOOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O

DOS

IR

Vibrations