Geometry & MOs

Info

ID:	257431
PubChem CID:	103146109
Reduced:	O2F3N3C9H14 (1)
Stoich.:	A2B3C3D9E14 (1)
Weight, g/mol:	321.049189
ΔH_f, kcal/mol:	-192.34
Dipole, Da:	4.09
IP(EA), eV:	-10.28(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline

Drug info:

PubChemData

Smile

CC[C@H](C1=NC(=NO1)CCOCC(F)(F)F)N

DOS

IR

Vibrations