Geometry & MOs

Info

ID:	425291
PubChem CID:	135125827
Reduced:	NOC12H13 (2)
Stoich.:	ABC12D13 (2)
Weight, g/mol:	346.168128
ΔH_f, kcal/mol:	-37.07
Dipole, Da:	2.63
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methylisoquinolin-6-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]

Drug info:

PubChemData

Smile

CCN1CCC2(CC1)OCC3=C(O2)C=CC(=C3)C4=CC5=C(C=C4)C=NC(=C5)C

DOS

IR

Vibrations