Geometry & MOs

Info

ID:	43121
PubChem CID:	10318850
Reduced:	NO7C21H23 (1)
Stoich.:	AB7C21D23 (1)
Weight, g/mol:	401.126323
ΔH_f, kcal/mol:	-181.28
Dipole, Da:	4.32
IP(EA), eV:	-8.39(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphthalen-1-yl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(/C(=N/O)/CC2O)C3=CC(=C(C(=C3)OC)OC)OC)O

DOS

IR

Vibrations