Geometry & MOs

Info

ID:

449343

PubChem CID:

135297815

Reduced:

F2N7H23C24 (1)

Stoich.:

A2B7C23D24 (1)

Weight, g/mol:

447.207053

ΔHf, kcal/mol:

63.65

Dipole, Da:

5.09

IP(EA), eV:

 -9.53(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(1S)-5-(2-fluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]-N-[(2S)-2-hydroxypropyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(C2=NN=C(C=C12)C3=C(C=CC=C3F)F)(C4=NC(=CN=C4)C5=NNN=C5)C(C)C

DOS

IR

Vibrations