Geometry & MOs

Info

ID:	146018
PubChem CID:	53624630
Reduced:	FOSN6C24H27 (1)
Stoich.:	ABCD6E24F27 (1)
Weight, g/mol:	343.146681
ΔH_f, kcal/mol:	54.25
Dipole, Da:	3.87
IP(EA), eV:	-8.72(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=NN=C(N2C3=CC=C(C=C3)F)SCC4CN=C(NO4)C5=CC=CC=C5

DOS

IR

Vibrations