Geometry & MOs

Info

ID:

448024

PubChem CID:

135287729

Reduced:

OSN7H25C28 (1)

Stoich.:

ABC7D25E28 (1)

Weight, g/mol:

457.138402

ΔHf, kcal/mol:

168.43

Dipole, Da:

4.92

IP(EA), eV:

 -8.46(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[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]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)OC7CCCCC7)NN4)/N=C32

DOS

IR

Vibrations