Geometry & MOs

Info

ID:	397644
PubChem CID:	135030514
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	276.172545
ΔH_f, kcal/mol:	-80.33
Dipole, Da:	3.4
IP(EA), eV:	-8.94(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3,3-dimethyl-6-[(1R,5R)-5-methyl-3-oxabicyclo[3.1.0]hexan-1-yl]-2,4-dioxatricyclo[5.4.0.01,5]undec-7-ene

Drug info:

PubChemData

Smile

C[C@]12C[C@]1(COC2)C3=C4C=CCC[C@]45[C@H]3OC(O5)(C)C

DOS

IR

Vibrations