Geometry & MOs

Info

ID:	409688
PubChem CID:	135082471
Reduced:	B3O5H23C32 (1)
Stoich.:	A3B5C23D32 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-269.76
Dipole, Da:	1.15
IP(EA), eV:	-8.64(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-1H-quinolin-2-one

Drug info:

PubChemData

Smile

B1(OB(OB(O1)C2=CC3=CC=CC=C3C(=C2O)C4=C(C=CC5=CC=CC=C54)O)C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations