Geometry & MOs

Info

ID:	403197
PubChem CID:	135059142
Reduced:	ClN3H11C15 (2)
Stoich.:	AB3C11D15 (2)
Weight, g/mol:	364.143645
ΔH_f, kcal/mol:	198.92
Dipole, Da:	4.05
IP(EA), eV:	-9.35(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-5-[4-(3-phenyltriazol-4-yl)phenyl]triazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=C(N=N2)C3=CC=C(C=C3)Cl)C4=C(N=NN4CC5=CC=CC=C5)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations