Geometry & MOs

Info

ID:	151389
PubChem CID:	53801180
Reduced:	ON4H14C16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	338.189338
ΔH_f, kcal/mol:	219.74
Dipole, Da:	5.11
IP(EA), eV:	-8.6(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-(2-ethyl-5-fluorophenyl)ethyl]-5-hydroxy-6-methyl-3-oxoheptanoate

Drug info:

PubChemData

Smile

C1C#CC=C(C=CC=CC=CC=CC=CONN=N1)C#N

DOS

IR

Vibrations