Geometry & MOs

Info

ID:	146797
PubChem CID:	53752138
Reduced:	OSiCl2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	408.083662
ΔH_f, kcal/mol:	-125.55
Dipole, Da:	4.23
IP(EA), eV:	-8.61(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5S,8R)-2-(2-chloroethyl)-8-(4-nitrophenyl)-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C([Si]1(Cl)Cl)CC(C)(C)C)C=COC

DOS

IR

Vibrations