Geometry & MOs

Info

ID:	132441
PubChem CID:	51362263
Reduced:	O3C25H32 (1)
Stoich.:	A3B25C32 (1)
Weight, g/mol:	347.064116
ΔH_f, kcal/mol:	-126.84
Dipole, Da:	7.33
IP(EA), eV:	-8.97(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione

Drug info:

PubChemData

Smile

CC1=CC2C(CC(CC2(CC1COC3=CC4=C(C=CC(=O)C4)C=C3)C)O)(C)C

DOS

IR

Vibrations