Geometry & MOs

Info

ID:	278002
PubChem CID:	103832593
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	334.9728
ΔH_f, kcal/mol:	63.57
Dipole, Da:	3.03
IP(EA), eV:	-8.95(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

Drug info:

PubChemData

Smile

C1CCN[C@@H](C1)C2=NC(=NO2)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations