Geometry & MOs

Info

ID:	5238
PubChem CID:	12810
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-123.51
Dipole, Da:	5.22
IP(EA), eV:	-10.47(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pentyloxan-2-one

Drug info:

PubChemData

Smile

CCCCCC1CCCC(=O)O1

DOS

IR

Vibrations