Geometry & MOs

Info

ID:

188748

PubChem CID:

77761179

Reduced:

O5N12C26H32 (1)

Stoich.:

A5B12C26D32 (1)

Weight, g/mol:

604.161734

ΔHf, kcal/mol:

-23.67

Dipole, Da:

3.16

IP(EA), eV:

 -8.54(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[6-[5-(2-hydroxy-5-methylphenyl)piperidin-2-ylidene]pyridin-3-ylidene]-4-methylcyclohexa-2,4-dien-1-one;manganese(3+);triacetate

Drug info:

PubChemData

Smile

CN1C=C(N=C1)CCNC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)C5=NN(N=N5)C)O)O)NCCC6=CC=CC=C6.C(=O)O

DOS

IR

Vibrations