Geometry & MOs

Info

ID:	219402
PubChem CID:	85148364
Reduced:	BrSi2O4C20H39 (1)
Stoich.:	AB2C4D20E39 (1)
Weight, g/mol:	479.056736
ΔH_f, kcal/mol:	-313.81
Dipole, Da:	5.57
IP(EA), eV:	-8.9(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[(4-chlorophenyl)hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]-1,3-thiazol-4-yl]-3-phenyloxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1CCC2C(C1Br)OC(=O)C2O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations