Geometry & MOs

Info

ID:

446723

PubChem CID:

135277184

Reduced:

N3O4H33C39 (1)

Stoich.:

A3B4C33D39 (1)

Weight, g/mol:

469.254084

ΔHf, kcal/mol:

-52.71

Dipole, Da:

3.42

IP(EA), eV:

 -8.47(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-fluoro-N-[2-[3-[(1R,3R)-2-[(3-fluorooxetan-3-yl)methyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)NC(=O)C(CC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations