Geometry & MOs

Info

ID:

166305

PubChem CID:

74667471

Reduced:

NF2O4H12C20 (1)

Stoich.:

AB2C4D12E20 (1)

Weight, g/mol:

379.99223

ΔHf, kcal/mol:

-157.76

Dipole, Da:

6.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.211374

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)C(=CC3=CC=CC=C3OC(F)F)C(=O)C(=O)[O-]

DOS

IR

Vibrations