Geometry & MOs

Info

ID:	150580
PubChem CID:	53790273
Reduced:	SN4O4H22C25 (1)
Stoich.:	AB4C4D22E25 (1)
Weight, g/mol:	138.104465
ΔH_f, kcal/mol:	-42.92
Dipole, Da:	6.58
IP(EA), eV:	-8.85(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylcyclooct-4-en-1-one

Drug info:

PubChemData

Smile

CN1C(=NC2=C1N=C(C=C2)OCC3=CC=CC=C3)COC4=CC=C(C=C4)CC5=C(NC(=O)S5)O

DOS

IR

Vibrations