Geometry & MOs

Info

ID:	424279
PubChem CID:	135122022
Reduced:	PN2C9O9H13 (1)
Stoich.:	AB2C9D9E13 (1)
Weight, g/mol:	280.073559
ΔH_f, kcal/mol:	-439.2
Dipole, Da:	3.78
IP(EA), eV:	-10.57(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxy-4-methoxyphenyl)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

C1=C(C(=O)N(C(=O)N1)C2[C@@H]([C@@H]([C@H](O2)CO)O)O)P(=O)(O)O

DOS

IR

Vibrations