Geometry & MOs

Info

ID:	73344
PubChem CID:	48417483
Reduced:	ClION4H6C11 (1)
Stoich.:	ABCD4E6F11 (1)
Weight, g/mol:	340.108402
ΔH_f, kcal/mol:	77.29
Dipole, Da:	3.06
IP(EA), eV:	-9.52(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)N2C(=C(C=N2)C#N)N)I)Cl

DOS

IR

Vibrations