Geometry & MOs

Info

ID:	287118
PubChem CID:	104231797
Reduced:	O3C17H20 (1)
Stoich.:	A3B17C20 (1)
Weight, g/mol:	272.141245
ΔH_f, kcal/mol:	-101.2
Dipole, Da:	4.04
IP(EA), eV:	-8.94(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations