Geometry & MOs

Info

ID:	287079
PubChem CID:	104231758
Reduced:	ClO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	292.086622
ΔH_f, kcal/mol:	-99.46
Dipole, Da:	1.8
IP(EA), eV:	-9.14(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(4-chloro-3-methylphenoxy)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC2=CC=CC(=C2C(C)O)OC)Cl

DOS

IR

Vibrations