Geometry & MOs

Info

ID:	8794
PubChem CID:	81606
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-17.1
Dipole, Da:	3.74
IP(EA), eV:	-9.98(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-hydroxycyclopentyl)buta-1,3-diynyl]cyclopentan-1-ol

Drug info:

PubChemData

Smile

C1CCC(C1)(C#CC#CC2(CCCC2)O)O

DOS

IR

Vibrations