Geometry & MOs

Info

ID:	287085
PubChem CID:	104231764
Reduced:	O5C16H16 (1)
Stoich.:	A5B16C16 (1)
Weight, g/mol:	288.099774
ΔH_f, kcal/mol:	-146.02
Dipole, Da:	3.51
IP(EA), eV:	-8.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(1,3-benzodioxol-5-yloxy)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1OC2=CC3=C(C=C2)OCO3)OC)O

DOS

IR

Vibrations