Geometry & MOs

Info

ID:

32040

PubChem CID:

4254084

Reduced:

N4O11C47H56 (1)

Stoich.:

A4B11C47D56 (1)

Weight, g/mol:

329.126323

ΔHf, kcal/mol:

-130.11

Dipole, Da:

7.43

IP(EA), eV:

 -8.88(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-(2-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate

Drug info:

PubChemData

Smile

CN(C1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(C(C4C3C1(OC5=C4C=C(C=C5)OCC=C)OCC=C)CCCCO)CCCCO)C(=O)NCC6=CC7=C(C=C6)OCO7

DOS

IR

Vibrations