Geometry & MOs

Info

ID:	417210
PubChem CID:	135091704
Reduced:	NO5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-194.41
Dipole, Da:	2.96
IP(EA), eV:	-8.52(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-ethyl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)C3=CC(=C(C=C3OC)OC)OC

DOS

IR

Vibrations