Geometry & MOs

Info

ID:	294279
PubChem CID:	117449273
Reduced:	BrNF3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	280.111087
ΔH_f, kcal/mol:	-113.99
Dipole, Da:	2.43
IP(EA), eV:	-9.33(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

C1CNCC1C2=C(C(=C(C=C2F)F)Br)F

DOS

IR

Vibrations