Geometry & MOs

Info

ID:	357086
PubChem CID:	127293156
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	380.07356
ΔH_f, kcal/mol:	-58.72
Dipole, Da:	3.96
IP(EA), eV:	-8.78(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)C3=CN=C(S3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations