Geometry & MOs

Info

ID:	371927
PubChem CID:	131280453
Reduced:	N3O3C9H13 (1)
Stoich.:	A3B3C9D13 (1)
Weight, g/mol:	242.002463
ΔH_f, kcal/mol:	-89.18
Dipole, Da:	2.99
IP(EA), eV:	-8.93(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-5-methylsulfanyl-2-(trifluoromethoxy)phenol

Drug info:

PubChemData

Smile

CCOC(=O)C1CN2C(=NC=C2N)CO1

DOS

IR

Vibrations