Geometry & MOs

Info

ID:	401704
PubChem CID:	135052177
Reduced:	BrN2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	225.139174
ΔH_f, kcal/mol:	25.86
Dipole, Da:	6.86
IP(EA), eV:	-7.67(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-tert-butyl-4-aza-1-azoniatricyclo[7.3.1.05,13]trideca-1(12),2,5,7,9(13),10-hexaene

Drug info:

PubChemData

Smile

CC(C)(C)C1=C[N+]2=CC=CC3=C2C(=CC=C3)N1.[Br-]

DOS

IR

Vibrations