Geometry & MOs

Info

ID:	186236
PubChem CID:	77406639
Reduced:	BO3N4C27H33 (1)
Stoich.:	AB3C4D27E33 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-142.23
Dipole, Da:	8.46
IP(EA), eV:	-8.96(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-butoxy-4-methyl-4aH-quinolin-2-one

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CN=C(N3)C4CCCN4C(=O)C(C5=CC=CC=C5)N

DOS

IR

Vibrations