Geometry & MOs

Info

ID:	257411
PubChem CID:	103145965
Reduced:	O2F3N3C13H20 (1)
Stoich.:	A2B3C3D13E20 (1)
Weight, g/mol:	305.109959
ΔH_f, kcal/mol:	-202.03
Dipole, Da:	3.22
IP(EA), eV:	-9.46(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-(1H-imidazol-5-yl)-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CCC1CCNC(C1)C2=NC(=NO2)CCOCC(F)(F)F

DOS

IR

Vibrations