Geometry & MOs

Info

ID:	401095
PubChem CID:	135050103
Reduced:	O3C16H16 (1)
Stoich.:	A3B16C16 (1)
Weight, g/mol:	266.188195
ΔH_f, kcal/mol:	-71.73
Dipole, Da:	2.36
IP(EA), eV:	-8.99(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,4R)-1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]-2-oxocyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC(COC1=CC=CC=C1)(C(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations