Geometry & MOs

Info

ID:	260895
PubChem CID:	103208574
Reduced:	BrF2N2O2C11H13 (1)
Stoich.:	AB2C2D2E11F13 (1)
Weight, g/mol:	240.072177
ΔH_f, kcal/mol:	-165.4
Dipole, Da:	5.16
IP(EA), eV:	-9.13(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1Br)NC(=O)CCOCC(F)F

DOS

IR

Vibrations