Geometry & MOs

Info

ID:	159742
PubChem CID:	57288691
Reduced:	NC43H81 (1)
Stoich.:	AB43C81 (1)
Weight, g/mol:	485.92481
ΔH_f, kcal/mol:	-148.4
Dipole, Da:	0.88
IP(EA), eV:	-8.73(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-5-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]butanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)NC(C)(C)C1=CC=CC=C1

DOS

IR

Vibrations