Geometry & MOs

Info

ID:

409888

PubChem CID:

135082675

Reduced:

N2O5H11C14 (1)

Stoich.:

A2B5C11D14 (1)

Weight, g/mol:

221.121592

ΔHf, kcal/mol:

-113.39

Dipole, Da:

7.0

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.506919

Charge, e:

 0

Chem-info

IUPAC name:

4-ethoxy-1-(2-fluorophenyl)-3,6-dihydro-2H-pyridine

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C2=C(C=C1)C(=C(C=C2)[N+]#N)O)OC(=O)C

DOS

IR

Vibrations