Geometry & MOs

Info

ID:	31619
PubChem CID:	855944
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	312.137497
ΔH_f, kcal/mol:	60.54
Dipole, Da:	11.41
IP(EA), eV:	-9.14(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C)N3C=NN=N3

DOS

IR

Vibrations