Geometry & MOs

Info

ID:	290487
PubChem CID:	104632781
Reduced:	ClF2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	253.061804
ΔH_f, kcal/mol:	-177.07
Dipole, Da:	5.25
IP(EA), eV:	-9.13(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2C(C(F)F)O)Cl

DOS

IR

Vibrations