Geometry & MOs

Info

ID:	217906
PubChem CID:	85088564
Reduced:	O6C23H38 (1)
Stoich.:	A6B23C38 (1)
Weight, g/mol:	410.282095
ΔH_f, kcal/mol:	-297.68
Dipole, Da:	5.29
IP(EA), eV:	-9.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-but-1-enyl-1-methyl-5-oxocyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCCCCCCCC(=O)OC(CC(=O)O)C(=O)OC

DOS

IR

Vibrations