Geometry & MOs

Info

ID:

166303

PubChem CID:

74667469

Reduced:

N2O5H11C19 (1)

Stoich.:

A2B5C11D19 (1)

Weight, g/mol:

347.066796

ΔHf, kcal/mol:

-15.36

Dipole, Da:

3.08

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.327254

Charge, e:

 -1

Chem-info

IUPAC name:

4-(4-nitrophenyl)-2-oxo-3-quinolin-2-ylbut-3-enoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)C(=O)[O-]

DOS

IR

Vibrations