Geometry & MOs

Info

ID:

391751

PubChem CID:

135009200

Reduced:

N3O5C41H41 (1)

Stoich.:

A3B5C41D41 (1)

Weight, g/mol:

298.141638

ΔHf, kcal/mol:

-9.01

Dipole, Da:

3.16

IP(EA), eV:

 -8.67(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2E)-2-[(1R,2S,6R,8R)-8-methoxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-ylidene]acetate

Drug info:

PubChemData

Smile

C1C=CC=C1C2=CN(N=N2)[C@H]3C(C([C@@H](C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations