Geometry & MOs

Info

ID:	303157
PubChem CID:	124489281
Reduced:	BrFON2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-64.81
Dipole, Da:	4.53
IP(EA), eV:	-9.37(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)C(=O)C2=CC(=CC(=C2)Br)F

DOS

IR

Vibrations