Geometry & MOs

Info

ID:	420210
PubChem CID:	135111838
Reduced:	NO3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	367.145344
ΔH_f, kcal/mol:	-212.68
Dipole, Da:	3.13
IP(EA), eV:	-8.43(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-methylsulfonylpropan-1-one

Drug info:

PubChemData

Smile

CN1CCN(CC1=O)C(=O)CCC(=O)C2=CC(=C(C=C2OC)OC)OC

DOS

IR

Vibrations