Geometry & MOs

Info

ID:	425237
PubChem CID:	135125609
Reduced:	NSO3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	446.184172
ΔH_f, kcal/mol:	-70.5
Dipole, Da:	2.18
IP(EA), eV:	-9.35(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(8-methylquinolin-7-yl)spiro[3H-1,4-benzodioxine-2,4'-piperidine]-1'-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CS(=O)(=O)C(C/C=C/C1=CC=CC=C1)(CO)C#N

DOS

IR

Vibrations