Geometry & MOs

Info

ID:	209099
PubChem CID:	80623503
Reduced:	OSN3C13H25 (1)
Stoich.:	ABC3D13E25 (1)
Weight, g/mol:	257.156184
ΔH_f, kcal/mol:	-32.92
Dipole, Da:	3.76
IP(EA), eV:	-9.2(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-heptoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCCCCCCOC1=NN=C(S1)CNC(C)C

DOS

IR

Vibrations