Geometry & MOs

Info

ID:	425155
PubChem CID:	135125343
Reduced:	ON2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	462.215472
ΔH_f, kcal/mol:	-12.15
Dipole, Da:	2.2
IP(EA), eV:	-8.52(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1CCC2(CCC3=C(O2)C=CC(=C3)C4=CC=CC=N4)CC1

DOS

IR

Vibrations