Geometry & MOs

Info

ID:	12336
PubChem CID:	135197
Reduced:	O3C19H26 (1)
Stoich.:	A3B19C26 (1)
Weight, g/mol:	302.188195
ΔH_f, kcal/mol:	-137.58
Dipole, Da:	2.38
IP(EA), eV:	-9.3(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-oxo-1-(2-phenylethyl)cyclooctane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCCCCC1=O)CCC2=CC=CC=C2

DOS

IR

Vibrations