Geometry & MOs

Info

ID:	425180
PubChem CID:	135125445
Reduced:	ClN3O3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	478.202321
ΔH_f, kcal/mol:	-48.55
Dipole, Da:	6.12
IP(EA), eV:	-8.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-[(2R)-oxolan-2-yl]methanone;hydrochloride

Drug info:

PubChemData

Smile

CCONC(=O)N1CCC2(CCC3=C(O2)C=CC(=C3)C4=C(C5=C(C=CC=N5)C=C4)Cl)CC1

DOS

IR

Vibrations