Geometry & MOs

Info

ID:	130439
PubChem CID:	51090864
Reduced:	OSN4C18H22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	321.15896
ΔH_f, kcal/mol:	16.0
Dipole, Da:	5.76
IP(EA), eV:	-8.93(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=CC=N2)NC(=O)CSCC3=CC=NC=C3

DOS

IR

Vibrations