Geometry & MOs

Info

ID:	21896
PubChem CID:	593090
Reduced:	O4C15H26 (1)
Stoich.:	A4B15C26 (1)
Weight, g/mol:	270.183109
ΔH_f, kcal/mol:	-218.17
Dipole, Da:	1.54
IP(EA), eV:	-9.9(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-hydroxybutyl)-2-oxocyclooctane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCCCCC1=O)CCC(C)O

DOS

IR

Vibrations