Geometry & MOs

Info

ID:	202741
PubChem CID:	79718907
Reduced:	BrN2O2C10H15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	195.044405
ΔH_f, kcal/mol:	-78.0
Dipole, Da:	2.78
IP(EA), eV:	-8.7(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1NCC(C)(CO)O)Br

DOS

IR

Vibrations