Geometry & MOs

Info

ID:	21557
PubChem CID:	588910
Reduced:	O3C16H28 (1)
Stoich.:	A3B16C28 (1)
Weight, g/mol:	268.203845
ΔH_f, kcal/mol:	-179.96
Dipole, Da:	2.96
IP(EA), eV:	-9.73(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-oxocyclododecyl)propanoate

Drug info:

PubChemData

Smile

COC(=O)CCC1CCCCCCCCCCC1=O

DOS

IR

Vibrations