Geometry & MOs

Info

ID:	75286
PubChem CID:	48423279
Reduced:	ClN2O2C17H23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-57.51
Dipole, Da:	4.25
IP(EA), eV:	-8.56(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)OCC3CC3

DOS

IR

Vibrations