Geometry & MOs

Info

ID:	1908
PubChem CID:	5312
Reduced:	O4C7H10 (1)
Stoich.:	A4B7C10 (1)
Weight, g/mol:	158.057909
ΔH_f, kcal/mol:	-186.4
Dipole, Da:	4.73
IP(EA), eV:	-10.27(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dioxoheptanoic acid

Drug info:

PubChemData

Smile

CC(=O)CC(=O)CCC(=O)O

DOS

IR

Vibrations