Geometry & MOs

Info

ID:	177360
PubChem CID:	76173288
Reduced:	N2F3O4H5C10 (1)
Stoich.:	A2B3C4D5E10 (1)
Weight, g/mol:	392.183503
ΔH_f, kcal/mol:	-125.26
Dipole, Da:	3.48
IP(EA), eV:	-10.07(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3,4-dihydroxybutoxy)-4-hydroxy-3-oct-1-enoxychromen-2-one

Drug info:

PubChemData

Smile

C1=CC2=NC(=O)C(=C(C2C=C1C(F)(F)F)O)[N+](=O)[O-]

DOS

IR

Vibrations