Geometry & MOs

Info

ID:	4864
PubChem CID:	12179
Reduced:	O2C5H8 (1)
Stoich.:	A2B5C8 (1)
Weight, g/mol:	100.052429
ΔH_f, kcal/mol:	-82.51
Dipole, Da:	3.87
IP(EA), eV:	-10.2(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxopentanal

Drug info:

PubChemData

Smile

CCC(=O)CC=O

DOS

IR

Vibrations