Geometry & MOs

Info

ID:	287094
PubChem CID:	104231773
Reduced:	Cl3O3H13C15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	345.993027
ΔH_f, kcal/mol:	-100.72
Dipole, Da:	0.6
IP(EA), eV:	-9.28(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-methoxy-6-(2,4,5-trichlorophenoxy)phenyl]ethanol

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1OC2=CC(=C(C=C2Cl)Cl)Cl)OC)O

DOS

IR

Vibrations