Geometry & MOs

Info

ID:	51797
PubChem CID:	12014542
Reduced:	O3C19H30 (1)
Stoich.:	A3B19C30 (1)
Weight, g/mol:	412.26136
ΔH_f, kcal/mol:	-177.14
Dipole, Da:	2.74
IP(EA), eV:	-9.97(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,5R)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexyl] 5-oxobicyclo[4.2.0]octane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C23CCCC(=O)C2CC3)C(C)C

DOS

IR

Vibrations