Geometry & MOs

Info

ID:	26041
PubChem CID:	636808
Reduced:	O3C20H24 (1)
Stoich.:	A3B20C24 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-62.87
Dipole, Da:	6.67
IP(EA), eV:	-9.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aR,4aR,5R,7bS)-3,3,5,7b-tetramethyl-1a,4,4a,5-tetrahydro-1H-cyclopropa[e]azulene-2,6-dione

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(/C=C/C=C\[C@@]1(C)CCC3=COC=C3)C(=O)OC2

DOS

IR

Vibrations