Geometry & MOs

Info

ID:	399583
PubChem CID:	135041084
Reduced:	BrON3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	228.055322
ΔH_f, kcal/mol:	57.88
Dipole, Da:	4.69
IP(EA), eV:	-9.4(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloropentanoyl)-6-methylpyran-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(CN2C3=CC=CC=C3N=N2)O)Br

DOS

IR

Vibrations