Geometry & MOs

Info

ID:	424392
PubChem CID:	135122521
Reduced:	N3O3C18H29 (1)
Stoich.:	A3B3C18D29 (1)
Weight, g/mol:	244.084792
ΔH_f, kcal/mol:	-120.7
Dipole, Da:	3.33
IP(EA), eV:	-9.52(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CCN1C2=C(CC3(CCOCC3)CNC2=O)C(=N1)CC(C)(C)CO

DOS

IR

Vibrations