Geometry & MOs

Info

ID:	197133
PubChem CID:	78927690
Reduced:	ON5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	229.09636
ΔH_f, kcal/mol:	38.47
Dipole, Da:	4.54
IP(EA), eV:	-8.51(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridin-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)NC(=O)CCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations