Geometry & MOs

Info

ID:	361606
PubChem CID:	127303872
Reduced:	N3O3C16H27 (1)
Stoich.:	A3B3C16D27 (1)
Weight, g/mol:	392.278741
ΔH_f, kcal/mol:	-139.36
Dipole, Da:	4.71
IP(EA), eV:	-9.05(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC(C1)NC(=O)CCN2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations