Geometry & MOs

Info

ID:	182799
PubChem CID:	76939626
Reduced:	BrNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	215.094629
ΔH_f, kcal/mol:	-16.59
Dipole, Da:	3.81
IP(EA), eV:	-9.73(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-7-methyl-8-methylidenequinolin-4-one

Drug info:

PubChemData

Smile

COCC1=CC(=O)C2=CC=CC(C2=N1)Br

DOS

IR

Vibrations