Geometry & MOs

Info

ID:	176654
PubChem CID:	76079513
Reduced:	FSiN2O5C24H47 (1)
Stoich.:	ABC2D5E24F47 (1)
Weight, g/mol:	168.040916
ΔH_f, kcal/mol:	-410.75
Dipole, Da:	3.7
IP(EA), eV:	-8.84(0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(5,6-dioxo-1,2,4-triazin-2-ium-2-yl)propanal

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(CC1CC(CN(C)C(=O)OC(C)(C)C)F)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations