Geometry & MOs

Info

ID:	257447
PubChem CID:	103146240
Reduced:	F2O2N3C13H21 (1)
Stoich.:	A2B2C3D13E21 (1)
Weight, g/mol:	315.085304
ΔH_f, kcal/mol:	-151.1
Dipole, Da:	4.32
IP(EA), eV:	-9.63(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine

Drug info:

PubChemData

Smile

CC1(CCCCC1N)C2=NC(=NO2)CCOCC(F)F

DOS

IR

Vibrations