Geometry & MOs

Info

ID:	321724
PubChem CID:	126666888
Reduced:	FO4N6C19H21 (1)
Stoich.:	AB4C6D19E21 (1)
Weight, g/mol:	522.030074
ΔH_f, kcal/mol:	-115.29
Dipole, Da:	9.38
IP(EA), eV:	-9.01(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-[2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-hydroxyphenyl]phenol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)CNC(=O)C2=C3C(=NN2)N=CN=C3N[C@@H]4COCC[C@H]4O

DOS

IR

Vibrations