Geometry & MOs

Info

ID:

231698

PubChem CID:

87574465

Reduced:

IF3N5O9C24H25 (1)

Stoich.:

AB3C5D9E24F25 (1)

Weight, g/mol:

586.299398

ΔHf, kcal/mol:

-417.37

Dipole, Da:

16.56

IP(EA), eV:

 -8.93(-2.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[[4,6-dipropyl-1,1-bis(trifluoromethyl)-3H-2-benzofuran-5-yl]oxy]butyl]-4-methyl-4-(4-methylphenyl)imidazolidine

Drug info:

PubChemData

Smile

CC(=O)OI1(C2=CC=CC=C2C(=O)O1)(OC(=O)C)OC(=O)C.C1CC(=NN2C1=NN=C2C(F)(F)F)N3CCC(=O)CC3

DOS

IR

Vibrations