Geometry & MOs

Info

ID:	225079
PubChem CID:	85741466
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	254.039295
ΔH_f, kcal/mol:	-25.13
Dipole, Da:	1.16
IP(EA), eV:	-9.45(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-5-(6-chloropyridazin-3-yl)-1,2,4-thiadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCCCN=CC2=CC=CC=C2

DOS

IR

Vibrations