Geometry & MOs

Info

ID:

83965

PubChem CID:

49862932

Reduced:

NO3C16H20 (2)

Stoich.:

AB3C16D20 (2)

Weight, g/mol:

648.319937

ΔHf, kcal/mol:

-141.78

Dipole, Da:

2.09

IP(EA), eV:

 -9.43(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[3,5-dioxo-4-[1-(phenylmethoxyamino)butylidene]cyclohexyl]phenyl]-2-[1-(phenylmethoxyamino)butylidene]cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CCCC(=C1C(=O)CC(CC1=O)C2=CC(=CC=C2)C3CC(=O)C(=C(CCC)NOCC=C)C(=O)C3)NOCC=C

DOS

IR

Vibrations