Geometry & MOs

Info

ID:	208971
PubChem CID:	80608573
Reduced:	OSN3C10H17 (1)
Stoich.:	ABC3D10E17 (1)
Weight, g/mol:	289.049668
ΔH_f, kcal/mol:	-13.21
Dipole, Da:	3.9
IP(EA), eV:	-8.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)COC2CCCC2

DOS

IR

Vibrations