Geometry & MOs

Info

ID:	10698
PubChem CID:	106876
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	-146.45
Dipole, Da:	4.07
IP(EA), eV:	-9.93(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-2-oxo-3-pentylcyclopent-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCC1=C(CC(C1=O)C(=O)OC)C

DOS

IR

Vibrations