Geometry & MOs

Info

ID:	31612
PubChem CID:	855934
Reduced:	N3H19C22 (1)
Stoich.:	A3B19C22 (1)
Weight, g/mol:	326.153147
ΔH_f, kcal/mol:	109.38
Dipole, Da:	7.78
IP(EA), eV:	-8.9(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CC=C4

DOS

IR

Vibrations