Geometry & MOs

Info

ID:	417215
PubChem CID:	135091725
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	-93.16
Dipole, Da:	5.31
IP(EA), eV:	-8.75(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C3=NC=C(C=C3)CS(=O)(=O)C

DOS

IR

Vibrations