Geometry & MOs

Info

ID:

393565

PubChem CID:

135021042

Reduced:

O2N4H19C21 (1)

Stoich.:

A2B4C19D21 (1)

Weight, g/mol:

218.094294

ΔHf, kcal/mol:

47.57

Dipole, Da:

3.26

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.073645

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-methyl-2-oxo-1,3-dihydroindene-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=O)OC)[N+]#N)C=C(N1)C2=CC=CC=N2)CC3=CC=CC=C3

DOS

IR

Vibrations