Geometry & MOs

Info

ID:	1165
PubChem CID:	3894
Reduced:	NO6H19C21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	381.121237
ΔH_f, kcal/mol:	-190.95
Dipole, Da:	4.84
IP(EA), eV:	-8.3(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,5-dihydroxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN(CC2=C(C=CC(=C2)O)O)C3=CC(=C(C=C3)O)C(=O)O)O

DOS

IR

Vibrations