Geometry & MOs

Info

ID:	351518
PubChem CID:	127280406
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	385.203528
ΔH_f, kcal/mol:	-43.38
Dipole, Da:	8.13
IP(EA), eV:	-8.95(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentylsulfonyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=NNC4=C3CCC4

DOS

IR

Vibrations