Geometry & MOs

Info

ID:	421571
PubChem CID:	135116247
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	388.199822
ΔH_f, kcal/mol:	-108.04
Dipole, Da:	3.7
IP(EA), eV:	-8.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)CC3=CC4=C(CN(C4=O)C(C)C)N=C3OC)OCC1

DOS

IR

Vibrations