Geometry & MOs

Info

ID:	208973
PubChem CID:	80608575
Reduced:	OSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	249.093583
ΔH_f, kcal/mol:	15.99
Dipole, Da:	3.45
IP(EA), eV:	-8.87(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)COC2=C(C=CC=C2C)C

DOS

IR

Vibrations