Geometry & MOs

Info

ID:	403196
PubChem CID:	135059140
Reduced:	BrN3H11C15 (2)
Stoich.:	AB3C11D15 (2)
Weight, g/mol:	536.1283
ΔH_f, kcal/mol:	219.73
Dipole, Da:	0.97
IP(EA), eV:	-9.31(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-[3-benzyl-5-(4-chlorophenyl)triazol-4-yl]-4-(4-chlorophenyl)triazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N(N=N2)CC3=CC=C(C=C3)Br)C4=C(N=NN4CC5=CC=C(C=C5)Br)C6=CC=CC=C6

DOS

IR

Vibrations