Geometry & MOs

Info

ID:	351464
PubChem CID:	127280352
Reduced:	O2S2N5C14H21 (1)
Stoich.:	A2B2C5D14E21 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-27.07
Dipole, Da:	5.1
IP(EA), eV:	-9.12(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CSC3=NN=CS3

DOS

IR

Vibrations