Geometry & MOs

Info

ID:	50968
PubChem CID:	12013573
Reduced:	NO2C25H25 (1)
Stoich.:	AB2C25D25 (1)
Weight, g/mol:	388.035712
ΔH_f, kcal/mol:	11.51
Dipole, Da:	1.53
IP(EA), eV:	-8.8(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-tris(2,2,2-trifluoro-1-hydroxyethyl)phenol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)[C@@H]2[C@@H](O2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations