Geometry & MOs

Info

ID:

174881

PubChem CID:

75826102

Reduced:

FOSN3H21C22 (1)

Stoich.:

ABCD3E21F22 (1)

Weight, g/mol:

232.084792

ΔHf, kcal/mol:

14.05

Dipole, Da:

3.47

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.173504

Charge, e:

 0

Chem-info

IUPAC name:

2-azaniumyl-2-(2-oxo-4aH-quinolin-4-yl)propanoate

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)CC4=[NH+]C=C(O4)C5=CC=C(C=C5)F

DOS

IR

Vibrations