Geometry & MOs

Info

ID:	228996
PubChem CID:	87566728
Reduced:	O11C16H30 (1)
Stoich.:	A11B16C30 (1)
Weight, g/mol:	97.010966
ΔH_f, kcal/mol:	-518.09
Dipole, Da:	6.15
IP(EA), eV:	-10.17(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(CO)OCC(C)OCC(C)O.COC(CC(=O)O)(CC(=O)O)C(=O)O

DOS

IR

Vibrations