Geometry & MOs

Info

ID:

446716

PubChem CID:

135277144

Reduced:

ON3F5C25H28 (1)

Stoich.:

AB3C5D25E28 (1)

Weight, g/mol:

485.248998

ΔHf, kcal/mol:

-230.05

Dipole, Da:

3.05

IP(EA), eV:

 -8.29(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3R)-2-[(1-fluorocyclopropyl)methyl]-1-[5-[2-(3-fluoropropylamino)ethoxy]-2-methoxyphenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-3-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](N1CC(F)F)C3=C(C=CC(=C3F)OCCNCCCF)F)NC4=CC=CC=C24

DOS

IR

Vibrations