Geometry & MOs

Info

ID:	425142
PubChem CID:	135125298
Reduced:	NOC13H14 (2)
Stoich.:	ABC13D14 (2)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-49.31
Dipole, Da:	3.05
IP(EA), eV:	-8.77(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(8-methoxyquinolin-7-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2(CCC3=C(O2)C=CC(=C3)C4=CC5=C(C=C4)C(=NC=C5)C)CC1

DOS

IR

Vibrations