Geometry & MOs

Info

ID:	412454
PubChem CID:	135085349
Reduced:	BON3F6H14C18 (1)
Stoich.:	ABC3D6E14F18 (1)
Weight, g/mol:	326.110493
ΔH_f, kcal/mol:	-374.67
Dipole, Da:	11.79
IP(EA), eV:	-10.0(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	1

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

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=CC=C5F)F

DOS

IR

Vibrations