Geometry & MOs

Info

ID:	405802
PubChem CID:	135075464
Reduced:	O3C11H16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	-133.17
Dipole, Da:	3.96
IP(EA), eV:	-9.73(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,7R,8R)-7-ethyl-4-methyl-5-oxatricyclo[6.2.2.02,6]dodeca-2(6),3,9-triene

Drug info:

PubChemData

Smile

CC1=C[C@@H]([C@](CC1)(C)C=O)OC(=O)C

DOS

IR

Vibrations