Geometry & MOs

Info

ID:	4199
PubChem CID:	10953
Reduced:	O2C5H8 (1)
Stoich.:	A2B5C8 (1)
Weight, g/mol:	100.052429
ΔH_f, kcal/mol:	-95.9
Dipole, Da:	5.41
IP(EA), eV:	-10.57(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-2-one

Drug info:

PubChemData

Smile

C1CCOC(=O)C1

DOS

IR

Vibrations