Geometry & MOs

Info

ID:	414464
PubChem CID:	135087422
Reduced:	FN2O4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	388.236208
ΔH_f, kcal/mol:	-207.01
Dipole, Da:	8.19
IP(EA), eV:	-9.72(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)N2CCN(C(=O)C2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations