Geometry & MOs

Info

ID:	423829
PubChem CID:	135120396
Reduced:	NO4C21H27 (1)
Stoich.:	AB4C21D27 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-157.8
Dipole, Da:	4.06
IP(EA), eV:	-8.5(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(6-methylpyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCCC2=C(C=CC3=CC=CC=C32)OC

DOS

IR

Vibrations