Geometry & MOs

Info

ID:	392863
PubChem CID:	135018205
Reduced:	N2O2C27H32 (1)
Stoich.:	A2B2C27D32 (1)
Weight, g/mol:	432.241293
ΔH_f, kcal/mol:	-62.96
Dipole, Da:	3.04
IP(EA), eV:	-8.43(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC3(C(=O)NC4CCCCC4N3)OC5=C2C=C(C=C5)C(C)(C)C

DOS

IR

Vibrations