Geometry & MOs

Info

ID:	216124
PubChem CID:	85085761
Reduced:	O3C13H26 (1)
Stoich.:	A3B13C26 (1)
Weight, g/mol:	230.167065
ΔH_f, kcal/mol:	-201.21
Dipole, Da:	3.87
IP(EA), eV:	-10.33(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3a,4,5,6,6a-hexahydropentalen-1-yl)bicyclo[2.2.2]oct-5-en-2-ol

Drug info:

PubChemData

Smile

CCCCCC(C(C)O)C(=O)OC(C)(C)C

DOS

IR

Vibrations