Geometry & MOs

Info

ID:	351578
PubChem CID:	127280470
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	378.172562
ΔH_f, kcal/mol:	-110.57
Dipole, Da:	8.2
IP(EA), eV:	-8.78(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CC3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations