Geometry & MOs

Info

ID:	203513
PubChem CID:	79839988
Reduced:	ClFN3H9C13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	298.146347
ΔH_f, kcal/mol:	37.41
Dipole, Da:	6.21
IP(EA), eV:	-9.17(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNC2=CN=C(C=C2)C#N)Cl)F

DOS

IR

Vibrations