Geometry & MOs

Info

ID:	73353
PubChem CID:	48417501
Reduced:	BrFON4H6C11 (1)
Stoich.:	ABCD4E6F11 (1)
Weight, g/mol:	309.097423
ΔH_f, kcal/mol:	23.06
Dipole, Da:	3.42
IP(EA), eV:	-9.57(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1F)Br)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations