Geometry & MOs

Info

ID:	425149
PubChem CID:	135125326
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-28.58
Dipole, Da:	3.66
IP(EA), eV:	-8.68(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2'-methoxy-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC3(CCC4=C(O3)C=CC(=C4)C5=CC=CC=N5)CC2

DOS

IR

Vibrations