Geometry & MOs

Info

ID:	126056
PubChem CID:	50949897
Reduced:	FN2O2C22H23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	355.16444
ΔH_f, kcal/mol:	-67.17
Dipole, Da:	3.69
IP(EA), eV:	-8.61(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)butanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1F)C2=C(N=CN2C3CCC(CC3)O)C4=CC=CC=C4

DOS

IR

Vibrations