Geometry & MOs

Info

ID:	361557
PubChem CID:	127303749
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	396.273656
ΔH_f, kcal/mol:	-112.31
Dipole, Da:	3.08
IP(EA), eV:	-8.94(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)C2=CC=CC(=C2)CN3CCOCC3

DOS

IR

Vibrations