Geometry & MOs

Info

ID:

120921

PubChem CID:

50750823

Reduced:

ClFO3N6H22C23 (1)

Stoich.:

ABC3D6E22F23 (1)

Weight, g/mol:

494.206639

ΔHf, kcal/mol:

-64.34

Dipole, Da:

4.68

IP(EA), eV:

 -8.81(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[10-(3-methoxyphenyl)-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]-2-methylpropyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2=C(C=CC(=C2)Cl)OCC3=CC(=O)N4C(=N3)N=CN4C(C)C)F

DOS

IR

Vibrations