Geometry & MOs

Info

ID:	421435
PubChem CID:	135116006
Reduced:	N2O5C19H26 (1)
Stoich.:	A2B5C19D26 (1)
Weight, g/mol:	332.14193
ΔH_f, kcal/mol:	-192.75
Dipole, Da:	6.01
IP(EA), eV:	-8.76(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylamino]pyridin-4-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCC[C@H]1COC[C@@H]2N1CCN(C2)C(=O)C3=CC(=CC(=C3)O)C(=O)OC

DOS

IR

Vibrations