Geometry & MOs

Info

ID:	356974
PubChem CID:	127293040
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	336.12407
ΔH_f, kcal/mol:	-122.75
Dipole, Da:	4.65
IP(EA), eV:	-8.71(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-(1-cyclopentylpyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)C3=CC=C(C=C3)OCC4CCCO4

DOS

IR

Vibrations