Geometry & MOs

Info

ID:	294506
PubChem CID:	117465120
Reduced:	BrFNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	287.0321
ΔH_f, kcal/mol:	-84.56
Dipole, Da:	6.66
IP(EA), eV:	-8.57(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-3-fluoro-2-methoxyphenyl)-2-methylpyrrolidine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1F)Br)O)C2(CCCN2)C

DOS

IR

Vibrations