Geometry & MOs

Info

ID:	294442
PubChem CID:	117461295
Reduced:	BrFNC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	285.05284
ΔH_f, kcal/mol:	-47.56
Dipole, Da:	1.84
IP(EA), eV:	-9.03(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-fluoro-3,6-dimethylphenyl)-2-methylpyrrolidine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)CC2CCCCN2)Br

DOS

IR

Vibrations