Geometry & MOs

Info

ID:	383258
PubChem CID:	134974883
Reduced:	O4C15H28 (1)
Stoich.:	A4B15C28 (1)
Weight, g/mol:	424.203193
ΔH_f, kcal/mol:	-229.06
Dipole, Da:	1.93
IP(EA), eV:	-10.09(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxopiperidin-2-yl]propyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCCC12CCCC(O1)(O[C@H]2CO)OC(C)(C)C

DOS

IR

Vibrations