Geometry & MOs

Info

ID:

168311

PubChem CID:

74951073

Reduced:

O5N6C27H42 (1)

Stoich.:

A5B6C27D42 (1)

Weight, g/mol:

420.214803

ΔHf, kcal/mol:

-162.35

Dipole, Da:

19.63

IP(EA), eV:

 -8.45(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7-ethenyl-11-hydroxy-7,9,13,13,16-pentamethyl-3-oxo-2,4,8-trioxatetracyclo[7.6.2.05,17.012,16]heptadec-5(17)-en-10-yl) acetate

Drug info:

PubChemData

Smile

C[N+](C)(C)CC(CC(=O)[O-])O.C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4

DOS

IR

Vibrations