Geometry & MOs

Info

ID:	48187
PubChem CID:	10537780
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-118.99
Dipole, Da:	0.6
IP(EA), eV:	-9.03(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,4S,5R)-5-methyl-8-oxo-4-[(E)-prop-1-enyl]bicyclo[3.2.1]octane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C[C@H](CCC(=O)OC)C(=C)C

DOS

IR

Vibrations