Geometry & MOs

Info

ID:

446706

PubChem CID:

135277056

Reduced:

F2O3N4C28H36 (1)

Stoich.:

A2B3C4D28E36 (1)

Weight, g/mol:

507.25089

ΔHf, kcal/mol:

-173.08

Dipole, Da:

2.23

IP(EA), eV:

 -8.38(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-difluoro-3-[(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]propan-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](N1CCC(=O)OC)C3=C(C(=NC=C3F)OCCN(C)CCCF)C)NC4=CC=CC=C24

DOS

IR

Vibrations