Geometry & MOs

Info

ID:	18551
PubChem CID:	542707
Reduced:	O2H3N5C12F18 (1)
Stoich.:	A2B3C5D12E18 (1)
Weight, g/mol:	590.999931
ΔH_f, kcal/mol:	-860.38
Dipole, Da:	4.01
IP(EA), eV:	-11.39(-2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]-N-methylnitramide

Drug info:

PubChemData

Smile

CN(C1=NC(=NC(=N1)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations