Geometry & MOs

Info

ID:

447988

PubChem CID:

135287391

Reduced:

ON8C28H28 (1)

Stoich.:

AB8C28D28 (1)

Weight, g/mol:

423.175833

ΔHf, kcal/mol:

136.9

Dipole, Da:

5.09

IP(EA), eV:

 -8.26(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[(1S,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]pyridin-2-yl]ethane-1,2-diol

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)C7CCC7)/C=C23

DOS

IR

Vibrations