Geometry & MOs

Info

ID:	435970
PubChem CID:	135193089
Reduced:	O4H12C15 (1)
Stoich.:	A4B12C15 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-77.9
Dipole, Da:	9.38
IP(EA), eV:	-9.76(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,5S,7R,8S)-4,8,9-trimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonane

Drug info:

PubChemData

Smile

C/C=C\C=C/C(=C)OC1=CC2=C(C=C1)C(=O)OC2=O

DOS

IR

Vibrations