Geometry & MOs

Info

ID:	3911
PubChem CID:	10401
Reduced:	OC3H5 (2)
Stoich.:	AB3C5 (2)
Weight, g/mol:	114.06808
ΔH_f, kcal/mol:	-100.94
Dipole, Da:	5.4
IP(EA), eV:	-10.55(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxepan-2-one

Drug info:

PubChemData

Smile

C1CCC(=O)OCC1

DOS

IR

Vibrations