Geometry & MOs

Info

ID:	287106
PubChem CID:	104231785
Reduced:	ClO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	306.102272
ΔH_f, kcal/mol:	-107.77
Dipole, Da:	4.62
IP(EA), eV:	-9.03(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=CC=CC(=C2C(C)O)OC)C)Cl

DOS

IR

Vibrations