Geometry & MOs

Info

ID:	23131
PubChem CID:	602290
Reduced:	H2O2F3N3C4 (1)
Stoich.:	A2B2C3D3E4 (1)
Weight, g/mol:	181.009911
ΔH_f, kcal/mol:	-205.2
Dipole, Da:	3.04
IP(EA), eV:	-11.31(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(trifluoromethyl)-2H-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

C1(=NNC(=O)NC1=O)C(F)(F)F

DOS

IR

Vibrations