Geometry & MOs

Info

ID:	380639
PubChem CID:	134971151
Reduced:	ZrO2H20C22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	79.13
Dipole, Da:	4.66
IP(EA), eV:	-6.1(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylpent-3-enyl)-4a,5,8,8a-tetrahydronaphthalene-1,4-dione

Drug info:

PubChemData

Smile

[CH3-].[CH3-].C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O.[Zr+2]

DOS

IR

Vibrations