Geometry & MOs

Info

ID:	49513
PubChem CID:	11533153
Reduced:	ClF3N3O5H17C21 (1)
Stoich.:	AB3C3D5E17F21 (1)
Weight, g/mol:	484.152834
ΔH_f, kcal/mol:	-285.79
Dipole, Da:	2.67
IP(EA), eV:	-9.57(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,13-dimethyl-9,16-diazoniapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;ditetrafluoroborate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=COC(=N2)CNC(=O)COC3=CC=C(C=C3)OC(F)(F)F)Cl

DOS

IR

Vibrations