Geometry & MOs

Info

ID:	189610
PubChem CID:	77880200
Reduced:	ClO2C26H41 (1)
Stoich.:	AB2C26D41 (1)
Weight, g/mol:	446.33961
ΔH_f, kcal/mol:	-167.56
Dipole, Da:	3.42
IP(EA), eV:	-9.09(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(8-butoxy-6-hydroxy-7-oxooct-2-enyl)-4-(3-methyldec-1-enyl)cyclopent-2-en-1-one

Drug info:

PubChemData

Smile

CC(CCC(OC(=O)C)Cl)C1CCC2C1(CCC3C2CC=C4C3(CCCC4)C)C

DOS

IR

Vibrations