Geometry & MOs

Info

ID:	294038
PubChem CID:	117423637
Reduced:	BrNF3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	268.111087
ΔH_f, kcal/mol:	-120.6
Dipole, Da:	2.59
IP(EA), eV:	-9.65(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-3,5-dimethoxyphenyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C(=C1F)F)F)Br)N

DOS

IR

Vibrations