Geometry & MOs

Info

ID:	31611
PubChem CID:	855933
Reduced:	ClN4H13C19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	325.157898
ΔH_f, kcal/mol:	150.31
Dipole, Da:	3.29
IP(EA), eV:	-8.47(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-bis(4-methylphenyl)-5-phenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

C1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Cl)C4=CC=NC=C4

DOS

IR

Vibrations