Geometry & MOs

Info

ID:	297503
PubChem CID:	117619138
Reduced:	ClO2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	285.072511
ΔH_f, kcal/mol:	6.2
Dipole, Da:	1.25
IP(EA), eV:	-9.67(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-6-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)C2=NN=C(C(=O)N2O)C

DOS

IR

Vibrations