Geometry & MOs

Info

ID:	177017
PubChem CID:	76125619
Reduced:	O3C26H44 (1)
Stoich.:	A3B26C44 (1)
Weight, g/mol:	466.329439
ΔH_f, kcal/mol:	-174.87
Dipole, Da:	3.57
IP(EA), eV:	-9.4(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[3-cyclopentyl-3-(oxan-2-yloxy)prop-1-enyl]-2-(hydroxymethyl)-5-(oxan-2-yloxy)cyclopentyl]propan-1-ol

Drug info:

PubChemData

Smile

CCCCC=CC(C)CC=CC1C=CCC1CCCCCCC(COC(=O)C)O

DOS

IR

Vibrations