Geometry & MOs

Info

ID:	351590
PubChem CID:	127280482
Reduced:	O3N6C20H26 (1)
Stoich.:	A3B6C20D26 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-61.82
Dipole, Da:	8.02
IP(EA), eV:	-9.23(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations