Geometry & MOs

Info

ID:	297502
PubChem CID:	117619134
Reduced:	F3O3N4H13C15 (1)
Stoich.:	A3B3C4D13E15 (1)
Weight, g/mol:	251.046154
ΔH_f, kcal/mol:	-137.21
Dipole, Da:	2.85
IP(EA), eV:	-9.79(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-2-methylphenyl)-4-hydroxy-6-methyl-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C2=NOCC2)C(F)(F)F)C3=NN=C(C(=O)N3O)C

DOS

IR

Vibrations