Geometry & MOs

Info

ID:	83320
PubChem CID:	49857447
Reduced:	O4C19H30 (1)
Stoich.:	A4B19C30 (1)
Weight, g/mol:	346.214409
ΔH_f, kcal/mol:	-153.44
Dipole, Da:	3.34
IP(EA), eV:	-8.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,4aS,8aS)-5,5,8a-trimethyl-1-[2-(5-oxo-2H-furan-3-yl)ethyl]-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CCCC([C@@H]1CC=C([C@@H]2CCC(=O)CO)C(=O)OC)(C)C

DOS

IR

Vibrations