Geometry & MOs

Info

ID:	44197
PubChem CID:	10501910
Reduced:	O10C19H26 (1)
Stoich.:	A10B19C26 (1)
Weight, g/mol:	414.27701
ΔH_f, kcal/mol:	-423.9
Dipole, Da:	4.14
IP(EA), eV:	-10.06(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(1-hydroxycyclopentyl)-2-[(E)-3-phenylprop-2-enoxy]acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@H](O[C@@H]2[C@H]1O[C@H]3CC[C@@H](O[C@@H]3[C@@H]2OC(=O)C)CC(=O)OC)CC=O

DOS

IR

Vibrations