Geometry & MOs

Info

ID:

390150

PubChem CID:

134997382

Reduced:

NSO21H85C95 (1)

Stoich.:

ABC21D85E95 (1)

Weight, g/mol:

209.177964

ΔHf, kcal/mol:

-530.39

Dipole, Da:

5.26

IP(EA), eV:

 -8.73(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclohexyl-2-methylcyclohexan-1-imine oxide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OCC4C(C(C(C(O4)SC5=NC6=CC=CC=C6O5)OCC7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

DOS

IR

Vibrations