Geometry & MOs

Info

ID:	398100
PubChem CID:	135031780
Reduced:	O2H5C8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	382.09161
ΔH_f, kcal/mol:	-75.23
Dipole, Da:	4.64
IP(EA), eV:	-8.75(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3,3,4,4,5,5,5-heptafluoro-2-methyl-1-[1-(2-methylphenyl)imidazol-2-yl]pentan-1-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)C3=CC=CC=C3OC2=O)C4=CC=CO4

DOS

IR

Vibrations