Geometry & MOs

Info

ID:	421547
PubChem CID:	135116189
Reduced:	ClN3O4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	371.119129
ΔH_f, kcal/mol:	-173.72
Dipole, Da:	2.4
IP(EA), eV:	-9.08(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-3-yl(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCNCC2)NC(=O)C3=CNC(=O)C(=C3)Cl

DOS

IR

Vibrations