Geometry & MOs

Info

ID:	49514
PubChem CID:	11533154
Reduced:	BNF4H9C11 (2)
Stoich.:	ABC4D9E11 (2)
Weight, g/mol:	310.146999
ΔH_f, kcal/mol:	-533.43
Dipole, Da:	13.3
IP(EA), eV:	-7.65(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	2

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

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC1=CC2=C[N+]3=CC=CC=C3C(=C2C4=CC5=CC=CC=[N+]5C=C14)C

DOS

IR

Vibrations