Geometry & MOs

Info

ID:

37084

PubChem CID:

8016667

Reduced:

N2O2C20H27 (1)

Stoich.:

A2B2C20D27 (1)

Weight, g/mol:

320.152478

ΔHf, kcal/mol:

-16.16

Dipole, Da:

6.94

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.053929

Charge, e:

 0

Chem-info

IUPAC name:

(1S,9R)-11-[(E)-3-phenylprop-2-enoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OCCC[NH+]2CCCC[C@@H]2C3=CN=CC=C3

DOS

IR

Vibrations