Geometry & MOs

Info

ID:	77613
PubChem CID:	49658404
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-126.98
Dipole, Da:	6.82
IP(EA), eV:	-8.96(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-hydroxypropylamino)-8-methyl-2-oxo-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC(=C2NC1=O)C)NCC3=CC(=CC=C3)OC

DOS

IR

Vibrations