Geometry & MOs

Info

ID:	18367
PubChem CID:	539849
Reduced:	O3C14H26 (1)
Stoich.:	A3B14C26 (1)
Weight, g/mol:	242.188195
ΔH_f, kcal/mol:	-182.09
Dipole, Da:	4.1
IP(EA), eV:	-10.09(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 12-oxotridecanoate

Drug info:

PubChemData

Smile

CC(=O)CCCCCCCCCCC(=O)OC

DOS

IR

Vibrations