Geometry & MOs

Info

ID:	217271
PubChem CID:	85087539
Reduced:	O5C20H28 (1)
Stoich.:	A5B20C28 (1)
Weight, g/mol:	348.193674
ΔH_f, kcal/mol:	-240.66
Dipole, Da:	7.91
IP(EA), eV:	-10.54(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,4a-dimethyl-6-oxo-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CC12CCCC(C1CCC3(C2CCC4=C3C(OC4=O)O)C)(C)C(=O)O

DOS

IR

Vibrations