Geometry & MOs

Info

ID:

412455

PubChem CID:

135085350

Reduced:

OF2N3H14C18 (1)

Stoich.:

AB2C3D14E18 (1)

Weight, g/mol:

328.004171

ΔHf, kcal/mol:

-16.84

Dipole, Da:

4.01

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.869324

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1[C@@H]2C(C3=CC=CC=C31)[N+]4=CN(N=C4CO2)C5=C(C=CC=C5F)F

DOS

IR

Vibrations