Geometry & MOs

Info

ID:	229623
PubChem CID:	87568224
Reduced:	O4C5H10 (2)
Stoich.:	A4B5C10 (2)
Weight, g/mol:	250.133396
ΔH_f, kcal/mol:	-378.68
Dipole, Da:	6.06
IP(EA), eV:	-10.58(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-diethyl-2-oxoheptyl)phosphonic acid

Drug info:

PubChemData

Smile

CCOC(C(C(=O)O)O)C(=O)O.C(CCO)CO

DOS

IR

Vibrations