Geometry & MOs

Info

ID:

447808

PubChem CID:

135285892

Reduced:

FON2H12C15 (2)

Stoich.:

ABC2D12E15 (2)

Weight, g/mol:

408.00851

ΔHf, kcal/mol:

-14.08

Dipole, Da:

6.01

IP(EA), eV:

 -9.03(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4R,6S)-12-bromo-3-[2-(difluoromethoxy)phenyl]-11-fluoro-2,8-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(13),7,9,11-tetraene

Drug info:

PubChemData

Smile

CC(C)(C1=NC=C(C=N1)C2=CC3=C(C=C2F)N=C4N3[C@@H]([C@H]5[C@@H]4C5)C6=CC=CC=C6OC7=CC=CC=C7F)O

DOS

IR

Vibrations