Geometry & MOs

Info

ID:

446711

PubChem CID:

135277093

Reduced:

ON3F4C27H33 (1)

Stoich.:

AB3C4D27E33 (1)

Weight, g/mol:

525.280298

ΔHf, kcal/mol:

-214.61

Dipole, Da:

3.71

IP(EA), eV:

 -8.29(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[(1R,3R)-1-[6-fluoro-3-[2-(3-fluoropropylamino)ethoxy]-2-methylphenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methyl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](N1CC(F)(F)F)C3=C(C=CC(=C3C)OCCNCCCF)C)NC4=CC=CC=C24

DOS

IR

Vibrations