Geometry & MOs

Info

ID:

193778

PubChem CID:

78434630

Reduced:

OF3N3C19H21 (1)

Stoich.:

AB3C3D19E21 (1)

Weight, g/mol:

198.055504

ΔHf, kcal/mol:

-129.43

Dipole, Da:

5.26

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756063

Charge, e:

 -1

Chem-info

IUPAC name:

3-quinolin-3-ylprop-2-enoate

Drug info:

PubChemData

Smile

C1CC2=C(C=CN2)C(=O)C1[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations