Geometry & MOs

Info

ID:	276361
PubChem CID:	103822445
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	272.95715
ΔH_f, kcal/mol:	-7.37
Dipole, Da:	1.1
IP(EA), eV:	-9.26(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

C1CC(C(C1)C2=NC(=NO2)C3=CC(=CC=C3)O)CN

DOS

IR

Vibrations