Geometry & MOs

Info

ID:	425289
PubChem CID:	135125824
Reduced:	OCl2N2C23H26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-61.94
Dipole, Da:	1.34
IP(EA), eV:	-8.56(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=CC=C2)C3=CC4=C(C=C3)OC5(CC4)CCNCC5.Cl.Cl

DOS

IR

Vibrations