Geometry & MOs

Info

ID:	257467
PubChem CID:	103146406
Reduced:	F2O2N3C12H19 (1)
Stoich.:	A2B2C3D12E19 (1)
Weight, g/mol:	304.080553
ΔH_f, kcal/mol:	-139.75
Dipole, Da:	4.71
IP(EA), eV:	-9.6(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine

Drug info:

PubChemData

Smile

CCC1(CCNC1)C2=NC(=NO2)CCOCC(F)F

DOS

IR

Vibrations