Geometry & MOs

Info

ID:	282572
PubChem CID:	103931442
Reduced:	BrNOSC11H14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	319.081305
ΔH_f, kcal/mol:	-18.42
Dipole, Da:	3.88
IP(EA), eV:	-8.93(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-dithiophen-2-ylethanamine

Drug info:

PubChemData

Smile

C1CC(OC1)CSCC2=NC=C(C=C2)Br

DOS

IR

Vibrations