Geometry & MOs

Info

ID:	423363
PubChem CID:	135119371
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	386.184172
ΔH_f, kcal/mol:	22.9
Dipole, Da:	3.12
IP(EA), eV:	-8.42(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)CC3=CC=NC=C3)C4=C1C5=CC=CC=C5N4

DOS

IR

Vibrations