Geometry & MOs

Info

ID:	226837
PubChem CID:	87558569
Reduced:	O5C9H20 (1)
Stoich.:	A5B9C20 (1)
Weight, g/mol:	406.116611
ΔH_f, kcal/mol:	-266.1
Dipole, Da:	1.76
IP(EA), eV:	-9.91(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCC(COCC(CC)(O)O)(O)O

DOS

IR

Vibrations