Geometry & MOs

Info

ID:	420562
PubChem CID:	135113953
Reduced:	SN3O3C13H15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	373.168936
ΔH_f, kcal/mol:	-84.9
Dipole, Da:	7.27
IP(EA), eV:	-8.92(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-[(3-fluoro-2-methoxyphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(N=CN=C2S1)N3CC[C@@H]([C@@H](C3)O)C(=O)O

DOS

IR

Vibrations