Geometry & MOs

Info

ID:	208976
PubChem CID:	80608949
Reduced:	OSN5C10H17 (1)
Stoich.:	ABC5D10E17 (1)
Weight, g/mol:	269.131031
ΔH_f, kcal/mol:	36.49
Dipole, Da:	4.63
IP(EA), eV:	-9.1(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-(2-methoxyethyl)amino]propanenitrile

Drug info:

PubChemData

Smile

CNC1=NN=C(S1)CN(CCC#N)CCOC

DOS

IR

Vibrations