Geometry & MOs

Info

ID:	357249
PubChem CID:	127293782
Reduced:	ON6C19H30 (1)
Stoich.:	AB6C19D30 (1)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	4.1
Dipole, Da:	4.68
IP(EA), eV:	-8.29(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)C3=NN=C(C=C3)N4CCCC4

DOS

IR

Vibrations