Geometry & MOs

Info

ID:

173119

PubChem CID:

75600725

Reduced:

NO3H11C19 (1)

Stoich.:

AB3C11D19 (1)

Weight, g/mol:

594.282883

ΔHf, kcal/mol:

110.5

Dipole, Da:

5.48

IP(EA), eV:

 -10.12(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-(11-acetyloxy-9,17-dimethyl-4-methylidene-5,15-dioxo-6,16-dioxatetracyclo[8.7.0.03,7.012,17]heptadec-1(10)-en-14-yl)-2-(hydroxymethyl)phenyl]pentyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C#CC=CC#CC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations