Geometry & MOs

Info

ID:

448014

PubChem CID:

135287600

Reduced:

OF2N7H23C25 (1)

Stoich.:

AB2C7D23E25 (1)

Weight, g/mol:

488.202382

ΔHf, kcal/mol:

28.48

Dipole, Da:

6.74

IP(EA), eV:

 -9.59(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[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]-1,3-oxazol-4-yl]propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](C1=NC(=NN1)C2=CN=CC(=N2)[C@]34CC[C@H](C3(C)C)C5=CC(=NN=C45)C6=C(C=CC=C6F)F)O

DOS

IR

Vibrations