Geometry & MOs

Info

ID:	330718
PubChem CID:	127248125
Reduced:	FN4O4H17C19 (1)
Stoich.:	AB4C4D17E19 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	-133.23
Dipole, Da:	4.05
IP(EA), eV:	-9.52(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]-6-oxopyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)CN2C=C(C=CC2=O)C(=O)O)NC(=O)CC3=CC=CC=C3F

DOS

IR

Vibrations