Geometry & MOs

Info

ID:	417414
PubChem CID:	135093540
Reduced:	N2S2O3C18H22 (1)
Stoich.:	A2B2C3D18E22 (1)
Weight, g/mol:	307.178358
ΔH_f, kcal/mol:	-79.77
Dipole, Da:	7.63
IP(EA), eV:	-8.39(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)propane-1,2-diol

Drug info:

PubChemData

Smile

CS(=O)(=O)CC1=CN=C(C=C1)N2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations