Geometry & MOs

Info

ID:

389205

PubChem CID:

134991573

Reduced:

CoN2O4C38H52 (1)

Stoich.:

AB2C4D38E52 (1)

Weight, g/mol:

1114.456718

ΔHf, kcal/mol:

-189.16

Dipole, Da:

52.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.175432

Charge, e:

 -2

Chem-info

IUPAC name:

2-[[[(1S,2S)-2-[(2-hydroxy-3-phenylphenyl)methylamino]cyclohexyl]amino]methyl]-6-phenylphenol;methanol;titanium

Drug info:

PubChemData

Smile

CC(=O)O.CC(C1=C/C(=C/NC2=CC=CC=C2N/C=C/3\C(=O)C(=CC(=C3)C(C)(C)C)C(C)(C)C)/C(=O)C(=C1)C(C)(C)C)(C)C.[Co]

DOS

IR

Vibrations