Geometry & MOs

Info

ID:	231559
PubChem CID:	87574110
Reduced:	SiO4H22C24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	269.031567
ΔH_f, kcal/mol:	-132.95
Dipole, Da:	5.3
IP(EA), eV:	-9.55(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-chloro-5-nitropyrimidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C/C(=C\CC(=O)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C(=O)O

DOS

IR

Vibrations