Geometry & MOs

Info

ID:

412452

PubChem CID:

135085347

Reduced:

ON3C15H20 (1)

Stoich.:

AB3C15D20 (1)

Weight, g/mol:

467.085146

ΔHf, kcal/mol:

30.28

Dipole, Da:

5.94

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.864019

Charge, e:

 0

Chem-info

IUPAC name:

(9R)-4-(2,3,4,5,6-pentafluorophenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene;tetrafluoroborate

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(OC2=NN(C=[N+]12)C3=CC=CC=C3)(C)C

DOS

IR

Vibrations