Geometry & MOs

Info

ID:	84744
PubChem CID:	49869566
Reduced:	ON3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	458.152495
ΔH_f, kcal/mol:	13.5
Dipole, Da:	3.63
IP(EA), eV:	-8.15(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CC(=CN=C2)N3CC4CC5CC3CN(C5)C4

DOS

IR

Vibrations