Geometry & MOs

Info

ID:	10326
PubChem CID:	100474
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-90.69
Dipole, Da:	4.86
IP(EA), eV:	-8.69(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-heptyl-7-methoxy-2-methyl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CCCCCCCC1=C(NC2=C(C1=O)C=CC(=C2)OC)C

DOS

IR

Vibrations