Geometry & MOs

Info

ID:

127213

PubChem CID:

50994603

Reduced:

N2H8C11 (2)

Stoich.:

A2B8C11 (2)

Weight, g/mol:

489.251523

ΔHf, kcal/mol:

153.39

Dipole, Da:

8.75

IP(EA), eV:

 -9.15(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 19'-cyclohexyl-2,2-dimethylspiro[1,3-dioxane-5,10'-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene]-15'-carboxylate

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2=CC=CC=C2C#N)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations