Geometry & MOs

Info

ID:	351459
PubChem CID:	127280347
Reduced:	N3O3C16H27 (1)
Stoich.:	A3B3C16D27 (1)
Weight, g/mol:	378.263091
ΔH_f, kcal/mol:	-140.88
Dipole, Da:	6.85
IP(EA), eV:	-9.06(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3CCCOC3

DOS

IR

Vibrations