Geometry & MOs

Info

ID:	158920
PubChem CID:	57244207
Reduced:	FNOH8C10 (3)
Stoich.:	ABCD8E10 (3)
Weight, g/mol:	224.068473
ΔH_f, kcal/mol:	-175.95
Dipole, Da:	6.98
IP(EA), eV:	-9.08(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dihydroxyphenyl) 5-oxopentanoate

Drug info:

PubChemData

Smile

C1CN(C(C2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F)C(=O)N)CC5=CN=CC=C5

DOS

IR

Vibrations