Geometry & MOs

Info

ID:	306
PubChem CID:	2552
Reduced:	O4C21H34 (1)
Stoich.:	A4B21C34 (1)
Weight, g/mol:	350.24571
ΔH_f, kcal/mol:	-216.35
Dipole, Da:	3.18
IP(EA), eV:	-9.76(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-hydroxy-4-(3-hydroxyoct-1-enyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid

Drug info:

PubChemData

Smile

CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O

DOS

IR

Vibrations