Geometry & MOs

Info

ID:	271575
PubChem CID:	103684353
Reduced:	NO2S2F3C12H12 (1)
Stoich.:	AB2C2D3E12F12 (1)
Weight, g/mol:	181.121512
ΔH_f, kcal/mol:	-173.2
Dipole, Da:	10.69
IP(EA), eV:	-9.26(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine

Drug info:

PubChemData

Smile

C#CCSCCNC1=CC=C(C=C1)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations