Geometry & MOs

Info

ID:	50969
PubChem CID:	12013574
Reduced:	O4F9H9C12 (1)
Stoich.:	A4B9C9D12 (1)
Weight, g/mol:	222.050379
ΔH_f, kcal/mol:	-642.24
Dipole, Da:	4.61
IP(EA), eV:	-9.98(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(C(F)(F)F)O)O)C(C(F)(F)F)O)C(C(F)(F)F)O

DOS

IR

Vibrations