Geometry & MOs

Info

ID:	79619
PubChem CID:	49829738
Reduced:	NO6C23H25 (1)
Stoich.:	AB6C23D25 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-159.14
Dipole, Da:	6.84
IP(EA), eV:	-8.43(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[3-[3-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=CC(=CC(=C3)OC)OC)OCC

DOS

IR

Vibrations