Geometry & MOs

Info

ID:	303135
PubChem CID:	124489257
Reduced:	BrFON2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	314.043
ΔH_f, kcal/mol:	-62.89
Dipole, Da:	4.69
IP(EA), eV:	-9.36(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-fluorophenyl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations