Geometry & MOs

Info

ID:	402785
PubChem CID:	135057279
Reduced:	O2C6H9 (2)
Stoich.:	A2B6C9 (2)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	-173.2
Dipole, Da:	3.15
IP(EA), eV:	-9.47(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S,8R)-7,7,11-trimethyl-6-oxatricyclo[6.3.0.02,4]undec-1(11)-ene

Drug info:

PubChemData

Smile

CC[C@@H]1C[C@H](C(=C)C(=C1C(=O)OCC)O)O

DOS

IR

Vibrations