Geometry & MOs

Info

ID:	321722
PubChem CID:	126666886
Reduced:	FO3N6C20H23 (1)
Stoich.:	AB3C6D20E23 (1)
Weight, g/mol:	464.083411
ΔH_f, kcal/mol:	-88.5
Dipole, Da:	5.8
IP(EA), eV:	-9.09(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-hydroxy-3-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-2-yl]-2-(1,1,2,2,2-pentafluoroethyl)phenol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)CN(C)C(=O)C2=C3C(=NN2)N=CN=C3N[C@@H]4CC[C@H]([C@H]4O)O

DOS

IR

Vibrations