Geometry & MOs

Info

ID:	84725
PubChem CID:	49869460
Reduced:	OCl2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	3.36
Dipole, Da:	8.26
IP(EA), eV:	-8.41(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N3C=CC=C3C4(N2)CCN(CC4)C5=CN=C(C=C5)Cl.Cl

DOS

IR

Vibrations