Geometry & MOs

Info

ID:	288379
PubChem CID:	104315987
Reduced:	BrO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	345.01129
ΔH_f, kcal/mol:	1.03
Dipole, Da:	5.6
IP(EA), eV:	-9.83(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol

Drug info:

PubChemData

Smile

C1CCC(C(CC1)O)C2=NC(=NO2)C3=NC=C(C=C3)Br

DOS

IR

Vibrations