Geometry & MOs

Info

ID:	422629
PubChem CID:	135118164
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	-176.45
Dipole, Da:	4.25
IP(EA), eV:	-9.18(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@H]1O)(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations