Geometry & MOs

Info

ID:	318373
PubChem CID:	126650923
Reduced:	O3N5C15H15 (1)
Stoich.:	A3B5C15D15 (1)
Weight, g/mol:	360.098918
ΔH_f, kcal/mol:	-13.34
Dipole, Da:	6.1
IP(EA), eV:	-9.06(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-chloro-2-(6-methoxypyridin-2-yl)-5-methylphenoxy]methyl]-4-methyl-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

C1CC(OC1)N2C=NC3=C(N=CN=C32)NCC4=CC=C(O4)C=O

DOS

IR

Vibrations