Geometry & MOs

Info

ID:	125878
PubChem CID:	50941914
Reduced:	BrN3C22H36 (1)
Stoich.:	AB3C22D36 (1)
Weight, g/mol:	342.290923
ΔH_f, kcal/mol:	53.19
Dipole, Da:	24.08
IP(EA), eV:	-6.13(-2.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-phenyl-1-tetradecyl-1,2,4-triazol-4-ium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCN1C=[N+](C=N1)C2=CC=CC=C2.[Br-]

DOS

IR

Vibrations