Geometry & MOs

Info

ID:	23505
PubChem CID:	604249
Reduced:	O4H12C17 (1)
Stoich.:	A4B12C17 (1)
Weight, g/mol:	280.073559
ΔH_f, kcal/mol:	-100.48
Dipole, Da:	2.33
IP(EA), eV:	-8.64(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 1,4-dihydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

DOS

IR

Vibrations