Geometry & MOs

Info

ID:	1787
PubChem CID:	5050
Reduced:	NO5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	355.141973
ΔH_f, kcal/mol:	-178.96
Dipole, Da:	10.24
IP(EA), eV:	-9.29(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutyl 7,8-dimethyl-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C3=C(C(=O)C=C(O3)C(=O)OCCC(C)C)C(=O)N2)C

DOS

IR

Vibrations