Geometry & MOs

Info

ID:	423908
PubChem CID:	135120707
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	388.236208
ΔH_f, kcal/mol:	-49.44
Dipole, Da:	5.32
IP(EA), eV:	-8.42(-0.03)
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-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C4=NC=NC(=C4)C5CC5)OC

DOS

IR

Vibrations