Geometry & MOs

Info

ID:	205775
PubChem CID:	80155327
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	290.131823
ΔH_f, kcal/mol:	-40.87
Dipole, Da:	4.15
IP(EA), eV:	-8.64(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(2-ethoxyphenoxy)-5-fluoro-4-methylphenyl]ethanol

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NCC2=NC=C(C=C2)C(=O)O

DOS

IR

Vibrations