Geometry & MOs

Info

ID:	399112
PubChem CID:	135037841
Reduced:	O5C9H16 (1)
Stoich.:	A5B9C16 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-204.98
Dipole, Da:	1.69
IP(EA), eV:	-9.7(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-5,5,6a-trimethyl-3-methylidene-4,4a,5a,6-tetrahydro-3aH-cyclopropa[f][1]benzofuran-2-one

Drug info:

PubChemData

Smile

C[C@]1(C(O[C@@H](CO1)C=O)(C)OC)OC

DOS

IR

Vibrations