Geometry & MOs

Info

ID:	15466
PubChem CID:	442301
Reduced:	OC4H5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	32.3
Dipole, Da:	5.08
IP(EA), eV:	-8.92(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3aR,11aS)-10-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CCCC(=CC[C@H]2[C@H](C1)OC(=O)C2=C)C(=O)OC

DOS

IR

Vibrations