Geometry & MOs

Info

ID:	383347
PubChem CID:	134975021
Reduced:	OSC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	418.283158
ΔH_f, kcal/mol:	-75.37
Dipole, Da:	1.02
IP(EA), eV:	-8.01(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (4S)-2-(methylaminomethyl)-4-[(2R)-1-[(1S)-1-phenylethyl]piperidin-2-yl]pentanedioate

Drug info:

PubChemData

Smile

C[C@]1(CCC2(C1(C)C)SCCS2)C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations