Geometry & MOs

Info

ID:	177594
PubChem CID:	76202845
Reduced:	O3N5C9H11 (1)
Stoich.:	A3B5C9D11 (1)
Weight, g/mol:	281.081871
ΔH_f, kcal/mol:	-88.43
Dipole, Da:	1.29
IP(EA), eV:	-10.0(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-ethyl-5,8-dimethoxy-2-methyl-6H-quinolin-4-one

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1)C(=O)NCC2=CNN=C2

DOS

IR

Vibrations