Geometry & MOs

Info

ID:

232568

PubChem CID:

87576439

Reduced:

ClSiO2N5C21H27 (1)

Stoich.:

ABC2D5E21F27 (1)

Weight, g/mol:

298.28718

ΔHf, kcal/mol:

-13.84

Dipole, Da:

4.31

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753522

Charge, e:

 0

Chem-info

IUPAC name:

nonyl 2-propylheptanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(C1CN(C2=C1C(=NC(=N2)N)Cl)CC3=CC4=C(C=CO4)N=C3)O[Si](C)C

DOS

IR

Vibrations