Geometry & MOs

Info

ID:

166302

PubChem CID:

74667136

Reduced:

N2F3C6H12 (1)

Stoich.:

A2B3C6D12 (1)

Weight, g/mol:

347.066796

ΔHf, kcal/mol:

-132.47

Dipole, Da:

5.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753892

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[NH2+]CCNC1C(F)(F)F

DOS

IR

Vibrations