Geometry & MOs

Info

ID:	343515
PubChem CID:	127266688
Reduced:	SO3N5C14H17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	264.097088
ΔH_f, kcal/mol:	-79.8
Dipole, Da:	2.51
IP(EA), eV:	-9.51(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-[[(4-methyl-3-nitropyridin-2-yl)amino]methyl]-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1C)NCC2=NC(=C(S2)C(=O)N)C

DOS

IR

Vibrations