Geometry & MOs

Info

ID:

223778

PubChem CID:

85335558

Reduced:

NO3F8H23C26 (1)

Stoich.:

AB3C8D23E26 (1)

Weight, g/mol:

549.221246

ΔHf, kcal/mol:

-453.32

Dipole, Da:

6.28

IP(EA), eV:

 -9.14(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[3-[4-[2-[[1-(carboxymethyl)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-trimethylazanium;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)COC2=CC=CC(=C2)N(CC(C(F)(F)F)O)OC3=CC=CC(=C3)C(C(F)(F)F)(F)F)C

DOS

IR

Vibrations