Geometry & MOs

Info

ID:	294507
PubChem CID:	117465121
Reduced:	BrFNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	287.0321
ΔH_f, kcal/mol:	-60.3
Dipole, Da:	2.28
IP(EA), eV:	-9.16(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]pyrrolidine

Drug info:

PubChemData

Smile

CC1(CCCN1)C2=C(C=CC(=C2OC)F)Br

DOS

IR

Vibrations