Geometry & MOs

Info

ID:	223794
PubChem CID:	85335577
Reduced:	ClON5C33H40 (1)
Stoich.:	ABC5D33E40 (1)
Weight, g/mol:	559.100539
ΔH_f, kcal/mol:	-0.35
Dipole, Da:	3.38
IP(EA), eV:	-8.99(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-3-[N-[3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3-[3-(trifluoromethyl)phenyl]anilino]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CN(C=N1)CCCC2=CC3=C(C=CC(=C3)Cl)C(C4=C2C=CC=N4)C5CCN(CC5)C(=O)NC6CCCCC6

DOS

IR

Vibrations