Geometry & MOs

Info

ID:

79970

PubChem CID:

49831907

Reduced:

FeP3N9C31H52 (1)

Stoich.:

AB3C9D31E52 (1)

Weight, g/mol:

443.209658

ΔHf, kcal/mol:

-212.89

Dipole, Da:

18.5

IP(EA), eV:

 -5.39(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[(E)-1-ethoxypropylideneamino]-1-(4-methylphenyl)-1H-benzo[f]chromene-2-carboxylate

Drug info:

PubChemData

Smile

CCN1CCN(P12=NP(=NP(=N2)(N3CCCC3)N4CCCC4)(N5CCCC5)N6CCCC6)C[C]7[CH][CH][CH][CH]7.[CH]1[CH][CH][CH][CH]1.[Fe+2]

DOS

IR

Vibrations