Geometry & MOs

Info

ID:

151372

PubChem CID:

53801157

Reduced:

N2O2C23H39 (1)

Stoich.:

A2B2C23D39 (1)

Weight, g/mol:

298.084124

ΔHf, kcal/mol:

3.34

Dipole, Da:

4.48

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.107502

Charge, e:

 0

Chem-info

IUPAC name:

4-(4-ethoxycarbonylbenzoyl)benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+]1(CCCC1=O)CN2C=CC=CC=CO2

DOS

IR

Vibrations