Geometry & MOs

Info

ID:

44117

PubChem CID:

10500830

Reduced:

N4H9C11 (2)

Stoich.:

A4B9C11 (2)

Weight, g/mol:

394.235539

ΔHf, kcal/mol:

178.67

Dipole, Da:

1.67

IP(EA), eV:

 -8.97(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,6R,9R,12R,13S)-6,12-dihydroxy-13-(hydroxymethyl)-5,5,9-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-2-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC(=CC=C3)C4=NC5=CC=CC=C5C(=N4)NN)NN

DOS

IR

Vibrations