Geometry & MOs

Info

ID:	392862
PubChem CID:	135018204
Reduced:	NOC13H15 (2)
Stoich.:	ABC13D15 (2)
Weight, g/mol:	416.246378
ΔH_f, kcal/mol:	-53.0
Dipole, Da:	3.22
IP(EA), eV:	-8.48(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6'-tert-butyl-4'-(4-methylphenyl)spiro[1,4,4a,5,6,7,8,8a-octahydroquinoxaline-3,2'-chromene]-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)OC3(C=C2C4=CC=CC=C4)C(=O)NC5CCCCC5N3

DOS

IR

Vibrations