Geometry & MOs

Info

ID:	322795
PubChem CID:	126671148
Reduced:	F3O3N8H25C28 (1)
Stoich.:	A3B3C8D25E28 (1)
Weight, g/mol:	342.141834
ΔH_f, kcal/mol:	-119.32
Dipole, Da:	3.04
IP(EA), eV:	-9.36(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,4-dimethylpentan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4[C@@H](C[C@@]5(C4C5)C)C(=O)NC6=NC(=CN=C6)C(F)(F)F

DOS

IR

Vibrations