Geometry & MOs

Info

ID:	220715
PubChem CID:	85230671
Reduced:	O3H12C13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	-82.38
Dipole, Da:	2.98
IP(EA), eV:	-9.39(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-3b,6,6a,7a-tetrahydro-3aH-cyclopenta[b]pentalene-1,5,7-trione

Drug info:

PubChemData

Smile

C1C=CCC(=O)OC2=CC=CC=C2CC1=O

DOS

IR

Vibrations