Geometry & MOs

Info

ID:	73923
PubChem CID:	48421119
Reduced:	ON4C20H32 (1)
Stoich.:	AB4C20D32 (1)
Weight, g/mol:	352.204531
ΔH_f, kcal/mol:	-33.53
Dipole, Da:	3.9
IP(EA), eV:	-8.3(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylpiperazin-1-yl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC2CCN(CC2)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations