Geometry & MOs

Info

ID:

438516

PubChem CID:

135228258

Reduced:

ON4H7C9 (2)

Stoich.:

AB4C7D9 (2)

Weight, g/mol:

418.100123

ΔHf, kcal/mol:

130.55

Dipole, Da:

4.34

IP(EA), eV:

 -10.0(-1.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[9-(methoxymethyl)-15-(trifluoromethoxy)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=C3CN4C(=NN=C4C5=C(N3C=N2)C=CC(=C5)C#N)COC

DOS

IR

Vibrations