Geometry & MOs

Info

ID:	351541
PubChem CID:	127280429
Reduced:	F3O3N4C17H25 (1)
Stoich.:	A3B3C4D17E25 (1)
Weight, g/mol:	323.220892
ΔH_f, kcal/mol:	-296.39
Dipole, Da:	7.67
IP(EA), eV:	-9.45(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxolan-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)C3CC(=O)N(C3)CC(F)(F)F

DOS

IR

Vibrations