Geometry & MOs

Info

ID:	425290
PubChem CID:	135125826
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	374.199428
ΔH_f, kcal/mol:	-127.11
Dipole, Da:	2.91
IP(EA), eV:	-9.02(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2(CC1)OCC3=C(O2)C=CC(=C3)C4=CC5=C(C=C4)C(=NC=C5)C

DOS

IR

Vibrations