Geometry & MOs

Info

ID:	50971
PubChem CID:	12013577
Reduced:	O2F3C9H9 (1)
Stoich.:	A2B3C9D9 (1)
Weight, g/mol:	324.133714
ΔH_f, kcal/mol:	-237.96
Dipole, Da:	5.1
IP(EA), eV:	-9.49(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C(F)(F)F)O)O

DOS

IR

Vibrations