Geometry & MOs

Info

ID:	385905
PubChem CID:	134980292
Reduced:	OC12H20 (1)
Stoich.:	AB12C20 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-60.19
Dipole, Da:	2.19
IP(EA), eV:	-9.55(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,5S,6R)-2,2,5-trimethylbicyclo[3.2.0]hept-3-ene-6-carboxylate

Drug info:

PubChemData

Smile

CC([C@@H]1C[C@H]2[C@@]1(C=CC2(C)C)C)O

DOS

IR

Vibrations