Geometry & MOs

Info

ID:	361445
PubChem CID:	127303522
Reduced:	N2O2C9H16 (2)
Stoich.:	A2B2C9D16 (2)
Weight, g/mol:	392.278741
ΔH_f, kcal/mol:	-181.91
Dipole, Da:	2.13
IP(EA), eV:	-8.76(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)CCN2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations