Geometry & MOs

Info

ID:	126705
PubChem CID:	50973974
Reduced:	SO3N4C16H16 (1)
Stoich.:	AB3C4D16E16 (1)
Weight, g/mol:	275.117095
ΔH_f, kcal/mol:	-59.26
Dipole, Da:	6.65
IP(EA), eV:	-8.92(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2(CC2)C(=O)N)C(=O)NC3=NC=CS3

DOS

IR

Vibrations