Geometry & MOs

Info

ID:	216253
PubChem CID:	85085953
Reduced:	O5C12H22 (1)
Stoich.:	A5B12C22 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-266.66
Dipole, Da:	2.69
IP(EA), eV:	-10.57(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8b-hydroxy-1,2,3,4-tetrahydrocyclopenta[a]indene-3a-carboxylate

Drug info:

PubChemData

Smile

CCCC(C(CC(=O)OCC)O)C(=O)OCC

DOS

IR

Vibrations