Geometry & MOs

Info

ID:	398055
PubChem CID:	135031561
Reduced:	NO3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	628.058707
ΔH_f, kcal/mol:	-115.73
Dipole, Da:	3.31
IP(EA), eV:	-9.92(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-chlorophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-[1-(2-methylphenyl)imidazol-2-yl]octan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)CC1=NC(CC1)CCCCC(=O)C2=CC=CC=C2

DOS

IR

Vibrations