Geometry & MOs

Info

ID:	287076
PubChem CID:	104231755
Reduced:	O3C17H20 (1)
Stoich.:	A3B17C20 (1)
Weight, g/mol:	272.141245
ΔH_f, kcal/mol:	-96.98
Dipole, Da:	3.95
IP(EA), eV:	-8.95(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(3-ethylphenoxy)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)OC2=CC=CC(=C2C(C)O)OC

DOS

IR

Vibrations