Geometry & MOs

Info

ID:

448092

PubChem CID:

135288396

Reduced:

ON9H23C27 (1)

Stoich.:

AB9C23D27 (1)

Weight, g/mol:

502.229266

ΔHf, kcal/mol:

178.93

Dipole, Da:

3.99

IP(EA), eV:

 -8.73(-2.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[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]pyrazin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CN=CC=C6

DOS

IR

Vibrations