Geometry & MOs

Info

ID:	390381
PubChem CID:	134998835
Reduced:	BF2N4H13C20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	299.115382
ΔH_f, kcal/mol:	-52.65
Dipole, Da:	4.09
IP(EA), eV:	-9.25(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-difluoro-3,5-dimethyl-10-pyridin-2-yl-2,11,12-triaza-6-azonia-7-boranuidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene

Drug info:

PubChemData

Smile

[B-]1(C2=C(C(=NN=C2C3=CC=CC=[N+]31)C4=CC=CC=N4)C5=CC=CC=C5)(F)F

DOS

IR

Vibrations