Geometry & MOs

Info

ID:	279590
PubChem CID:	103844406
Reduced:	OSN2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	257.156184
ΔH_f, kcal/mol:	-22.58
Dipole, Da:	2.4
IP(EA), eV:	-8.46(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC=CC2=C1C=CS2)CO

DOS

IR

Vibrations