Geometry & MOs

Info

ID:	371508
PubChem CID:	127346732
Reduced:	ClON4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	7.73
Dipole, Da:	4.74
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCN(C2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations