Geometry & MOs

Info

ID:	307231
PubChem CID:	125292627
Reduced:	ON4H8C9 (1)
Stoich.:	AB4C8D9 (1)
Weight, g/mol:	247.064471
ΔH_f, kcal/mol:	48.78
Dipole, Da:	4.82
IP(EA), eV:	-10.13(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[(3R)-7-fluoro-2-oxo-3H-quinolin-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1)C2=NC=CC=N2

DOS

IR

Vibrations