Geometry & MOs

Info

ID:	354391
PubChem CID:	127286635
Reduced:	SO3N4C17H24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	336.161997
ΔH_f, kcal/mol:	-111.23
Dipole, Da:	3.53
IP(EA), eV:	-9.47(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(thiophene-2-carbonylamino)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)C(=O)NCCNC(=O)C3=CC=CS3

DOS

IR

Vibrations