Geometry & MOs

Info

ID:	208517
PubChem CID:	80539886
Reduced:	BrSN2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	218.116761
ΔH_f, kcal/mol:	35.48
Dipole, Da:	2.97
IP(EA), eV:	-9.34(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC(CCN)C1=NC2=C(S1)C=C(C=C2)Br

DOS

IR

Vibrations