Geometry & MOs

Info

ID:	422974
PubChem CID:	135118711
Reduced:	ON4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	365.085242
ΔH_f, kcal/mol:	14.94
Dipole, Da:	8.04
IP(EA), eV:	-8.69(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-1-[(5-chlorothiophen-2-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCN1[C@@H]2CC[C@H](C1=O)CN(C2)CC3=CC(=CC=C3)N4C=CC=N4

DOS

IR

Vibrations