Geometry & MOs

Info

ID:	392331
PubChem CID:	135014561
Reduced:	O3C8H11 (2)
Stoich.:	A3B8C11 (2)
Weight, g/mol:	319.079568
ΔH_f, kcal/mol:	-237.79
Dipole, Da:	1.16
IP(EA), eV:	-10.15(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,3,3,3-hexafluoro-2-(4-phenylphenyl)propan-2-amine

Drug info:

PubChemData

Smile

C=CCCC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)CCC=C

DOS

IR

Vibrations