Geometry & MOs

Info

ID:	193391
PubChem CID:	78387826
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	329.101171
ΔH_f, kcal/mol:	-23.04
Dipole, Da:	7.19
IP(EA), eV:	-8.93(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7,8-dimethoxy-4-oxo-4aH-pyrimido[4,5-b]quinoline-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC1=CC=CC(=O)C1=C2C=C(C3C=CC=C(C3=N2)O)C(=O)O

DOS

IR

Vibrations