Geometry & MOs

Info

ID:

412453

PubChem CID:

135085348

Reduced:

BON3F9H11C18 (1)

Stoich.:

ABC3D9E11F18 (1)

Weight, g/mol:

413.113411

ΔHf, kcal/mol:

-496.55

Dipole, Da:

14.25

IP(EA), eV:

 -10.14(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9R)-4-(2,6-difluorophenyl)-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

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

DOS

IR

Vibrations