Geometry & MOs

Info

ID:	303317
PubChem CID:	124489502
Reduced:	BrFON2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	300.02735
ΔH_f, kcal/mol:	-61.34
Dipole, Da:	4.41
IP(EA), eV:	-9.34(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-fluoro-N-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide

Drug info:

PubChemData

Smile

CN([C@@H]1CCNC1)C(=O)C2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations