Geometry & MOs

Info

ID:	351619
PubChem CID:	127280511
Reduced:	N4O4C19H24 (1)
Stoich.:	A4B4C19D24 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-136.73
Dipole, Da:	6.77
IP(EA), eV:	-9.14(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations