Geometry & MOs

Info

ID:

447970

PubChem CID:

135287241

Reduced:

OSN8H22C26 (1)

Stoich.:

ABC8D22E26 (1)

Weight, g/mol:

461.166331

ΔHf, kcal/mol:

184.31

Dipole, Da:

8.55

IP(EA), eV:

 -8.81(-2.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[6-[(1R,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]-1,3,4-oxadiazol-2-yl]methanol

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=NC\3=C(C=C2)NN/C3=C/4\N=C5C=NC=C(C5=N4)C6=CC=C(S6)C(=O)C

DOS

IR

Vibrations