Geometry & MOs

Info

ID:	414601
PubChem CID:	135087560
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	385.134779
ΔH_f, kcal/mol:	3.3
Dipole, Da:	3.6
IP(EA), eV:	-8.66(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NC2=C(CCCC2)C(=N1)N3C[C@H]([C@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations