Geometry & MOs

Info

ID:	351491
PubChem CID:	127280379
Reduced:	O3N5C20H29 (1)
Stoich.:	A3B5C20D29 (1)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-89.41
Dipole, Da:	6.35
IP(EA), eV:	-8.77(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)N4CCOCC4

DOS

IR

Vibrations