Geometry & MOs

Info

ID:	372069
PubChem CID:	131292796
Reduced:	N3C13H13 (1)
Stoich.:	A3B13C13 (1)
Weight, g/mol:	206.085541
ΔH_f, kcal/mol:	68.92
Dipole, Da:	3.08
IP(EA), eV:	-9.42(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-8-fluoro-5-methyl-6H-quinolin-4-one

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C=C1C(CN)C#N

DOS

IR

Vibrations