Geometry & MOs

Info

ID:

446724

PubChem CID:

135277187

Reduced:

F2O2N3C27H33 (1)

Stoich.:

A2B2C3D27E33 (1)

Weight, g/mol:

477.240325

ΔHf, kcal/mol:

-110.73

Dipole, Da:

2.57

IP(EA), eV:

 -8.32(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-fluoro-N-[2-[3-methyl-5-[(1R,3R)-3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](N1CC3(COC3)F)C4=CC(=CC=C4)OCCNCCCF)NC5=CC=CC=C25

DOS

IR

Vibrations