Geometry & MOs

Info

ID:	169084
PubChem CID:	75061594
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	189.078979
ΔH_f, kcal/mol:	0.24
Dipole, Da:	3.64
IP(EA), eV:	-8.9(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-methyl-4aH-quinolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C2C=CC(=CC2=N1)OC.CC1=CC(=O)C2C(=N1)C=CC=C2OC

DOS

IR

Vibrations