Geometry & MOs

Info

ID:	6857
PubChem CID:	70269
Reduced:	O2N3C4H5 (1)
Stoich.:	A2B3C4D5 (1)
Weight, g/mol:	127.038176
ΔH_f, kcal/mol:	-59.16
Dipole, Da:	2.15
IP(EA), eV:	-10.32(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2H-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CC1=NNC(=O)NC1=O

DOS

IR

Vibrations