Geometry & MOs

Info

ID:

226567

PubChem CID:

87544104

Reduced:

F3N3O8H33C34 (1)

Stoich.:

A3B3C8D33E34 (1)

Weight, g/mol:

267.056529

ΔHf, kcal/mol:

-233.86

Dipole, Da:

32.57

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.764904

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC2CCN(CC2)CC(C3=CN(C4=C3C=CC(=C4)[N+](=O)[O-])CC5=CC=CC=C5)(C(F)(F)F)O)OC)/C=C/C(=O)[O-]

DOS

IR

Vibrations