Geometry & MOs

Info

ID:	417609
PubChem CID:	135102227
Reduced:	FON2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	385.168936
ΔH_f, kcal/mol:	-51.92
Dipole, Da:	3.69
IP(EA), eV:	-9.22(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[2-(2-fluorophenyl)benzoyl]-4-hydroxy-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3)F

DOS

IR

Vibrations