Geometry & MOs

Info

ID:	351510
PubChem CID:	127280398
Reduced:	O3N4C19H32 (1)
Stoich.:	A3B4C19D32 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-143.74
Dipole, Da:	4.65
IP(EA), eV:	-9.37(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations