Geometry & MOs

Info

ID:	208975
PubChem CID:	80608608
Reduced:	SN4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	255.115381
ΔH_f, kcal/mol:	73.39
Dipole, Da:	3.69
IP(EA), eV:	-8.85(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)CN(CC2CC2)CC3CC3

DOS

IR

Vibrations