Geometry & MOs

Info

ID:	2780
PubChem CID:	8546
Reduced:	O6H16C23 (1)
Stoich.:	A6B16C23 (1)
Weight, g/mol:	388.094688
ΔH_f, kcal/mol:	-181.69
Dipole, Da:	9.43
IP(EA), eV:	-9.15(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

DOS

IR

Vibrations