Geometry & MOs

Info

ID:	161836
PubChem CID:	57392812
Reduced:	N3O3H19C24 (1)
Stoich.:	A3B3C19D24 (1)
Weight, g/mol:	290.115424
ΔH_f, kcal/mol:	-2.17
Dipole, Da:	4.97
IP(EA), eV:	-9.49(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC=O)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations