Geometry & MOs

Info

ID:	294269
PubChem CID:	117447155
Reduced:	ClN2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	277.959
ΔH_f, kcal/mol:	12.77
Dipole, Da:	1.12
IP(EA), eV:	-8.85(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-6-fluoro-4-hydroxy-3-methoxyphenyl)acetic acid

Drug info:

PubChemData

Smile

CC(C1(CC1)C2=CC(=C(C=C2)C3CCN(C3)C)Cl)N

DOS

IR

Vibrations