Geometry & MOs

Info

ID:	294504
PubChem CID:	117465086
Reduced:	BrFNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	287.0321
ΔH_f, kcal/mol:	-82.25
Dipole, Da:	1.19
IP(EA), eV:	-9.32(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Br)O)F)C2(CCCC2)N

DOS

IR

Vibrations