Geometry & MOs

Info

ID:

179427

PubChem CID:

76482189

Reduced:

N2O3C21H31 (1)

Stoich.:

A2B3C21D31 (1)

Weight, g/mol:

240.069891

ΔHf, kcal/mol:

-101.9

Dipole, Da:

6.61

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.779367

Charge, e:

 0

Chem-info

IUPAC name:

6-fluoro-7-pyridin-2-yl-4aH-quinolin-4-one

Drug info:

PubChemData

Smile

CC12CCCC1C3CCC4C(C(=O)C(CC4(C3CC2)C)C(=C[N+]#N)O)O

DOS

IR

Vibrations