Geometry & MOs

Info

ID:	73111
PubChem CID:	48417013
Reduced:	FO2N6H11C16 (1)
Stoich.:	AB2C6D11E16 (1)
Weight, g/mol:	326.092752
ΔH_f, kcal/mol:	30.84
Dipole, Da:	11.22
IP(EA), eV:	-9.21(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations