Geometry & MOs

Info

ID:

448042

PubChem CID:

135287918

Reduced:

ClOSN7H18C28 (1)

Stoich.:

ABCD7E18F28 (1)

Weight, g/mol:

430.171751

ΔHf, kcal/mol:

224.85

Dipole, Da:

11.25

IP(EA), eV:

 -8.61(-2.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,8R)-5-(2,6-difluorophenyl)-1-(4-imidazol-1-ylpyrimidin-2-yl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C=CN=C(C6=N5)C7=CC=C(S7)Cl

DOS

IR

Vibrations