Geometry & MOs

Info

ID:	391366
PubChem CID:	135004509
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-138.26
Dipole, Da:	6.98
IP(EA), eV:	-8.98(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-oxohexyl)benzoate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2[C@](C1=O)(CC=O)CC(OC)OC

DOS

IR

Vibrations