Geometry & MOs

Info

ID:	392861
PubChem CID:	135018203
Reduced:	ON7C15H15 (1)
Stoich.:	AB7C15D15 (1)
Weight, g/mol:	402.230728
ΔH_f, kcal/mol:	118.13
Dipole, Da:	5.58
IP(EA), eV:	-9.02(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6'-tert-butyl-4'-phenylspiro[1,4,4a,5,6,7,8,8a-octahydroquinoxaline-3,2'-chromene]-2-one

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC2=C1N=NN2CC3=CC=C(C=C3)OC)C#N

DOS

IR

Vibrations