Geometry & MOs

Info

ID:

448001

PubChem CID:

135287467

Reduced:

FSN7H14C22 (1)

Stoich.:

ABC7D14E22 (1)

Weight, g/mol:

447.187067

ΔHf, kcal/mol:

171.16

Dipole, Da:

6.21

IP(EA), eV:

 -8.85(-2.17)

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]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1=C(SC(=C1)F)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)N)/C=C23

DOS

IR

Vibrations