Geometry & MOs

Info

ID:	135843
PubChem CID:	51947887
Reduced:	BrON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	301.077265
ΔH_f, kcal/mol:	-41.34
Dipole, Da:	4.19
IP(EA), eV:	-8.82(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-yl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)CCNC(=O)C2=CC=CC=C2Br)C

DOS

IR

Vibrations