Geometry & MOs

Info

ID:	71004
PubChem CID:	48414169
Reduced:	ClION3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	343.144453
ΔH_f, kcal/mol:	22.83
Dipole, Da:	6.22
IP(EA), eV:	-9.6(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(C=CC(=C2)Cl)I

DOS

IR

Vibrations