Geometry & MOs

Info

ID:

446718

PubChem CID:

135277148

Reduced:

BrFN2O2C24H26 (1)

Stoich.:

ABC2D2E24F26 (1)

Weight, g/mol:

493.246473

ΔHf, kcal/mol:

-85.43

Dipole, Da:

0.29

IP(EA), eV:

 -8.34(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-fluoropropyl)-N'-[5-methoxy-6-[(1S,3R)-3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridin-2-yl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(N1CC(C)C(=O)OC)C3=C(C=CC(=C3C)Br)F)NC4=CC=CC=C24

DOS

IR

Vibrations