Geometry & MOs

Info

ID:	422986
PubChem CID:	135118733
Reduced:	NOC11H15 (2)
Stoich.:	ABC11D15 (2)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-80.41
Dipole, Da:	3.11
IP(EA), eV:	-9.21(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCC(CCC)C(=O)N[C@@H]1COC[C@H]1CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations