Geometry & MOs

Info

ID:

446703

PubChem CID:

135277020

Reduced:

F2N3O3C28H35 (1)

Stoich.:

A2B3C3D28E35 (1)

Weight, g/mol:

511.317433

ΔHf, kcal/mol:

-177.86

Dipole, Da:

2.97

IP(EA), eV:

 -8.16(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[(3R)-2-(2,3-dimethylbut-3-enyl)-6-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-4-fluoro-2-methylphenyl]-N-(3-fluoropropyl)propan-1-amine

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](N1C[C@H](C)C(=O)O)C3=C(C=CC(=C3C)OCCNCCCF)F)NC4=CC=CC=C24

DOS

IR

Vibrations