Geometry & MOs

Info

ID:	159137
PubChem CID:	57260770
Reduced:	F2N4O5H10C16 (1)
Stoich.:	A2B4C5D10E16 (1)
Weight, g/mol:	292.094688
ΔH_f, kcal/mol:	-130.07
Dipole, Da:	3.09
IP(EA), eV:	-9.37(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,4,6-trihydroxyphenyl)propyl]benzene-1,3,5-triol

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)O[N+](=O)[O-])N(C=C2C3=CC(=C(C=C3F)C(=O)N)F)C(=O)N

DOS

IR

Vibrations