Geometry & MOs

Info

ID:	344111
PubChem CID:	127267287
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	220.096026
ΔH_f, kcal/mol:	-30.42
Dipole, Da:	2.22
IP(EA), eV:	-9.13(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-methoxypyridin-3-yl)-2,4-dimethyl-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

CC1=NOC(C1)CNC(=O)NC2=CC=CC(=N2)C

DOS

IR

Vibrations