Geometry & MOs

Info

ID:	165834
PubChem CID:	74603493
Reduced:	O9C27H28 (1)
Stoich.:	A9B27C28 (1)
Weight, g/mol:	235.169805
ΔH_f, kcal/mol:	-327.26
Dipole, Da:	6.57
IP(EA), eV:	-8.76(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1,4-ditert-butyl-2-methyl-3-oxobicyclo[2.2.0]hex-5-en-2-olate

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OC3C(C(C(C(O3)C(=O)OCC4=CC=CC=C4)O)O)O

DOS

IR

Vibrations