Geometry & MOs

Info

ID:	228833
PubChem CID:	87565902
Reduced:	O5C7H13 (2)
Stoich.:	A5B7C13 (2)
Weight, g/mol:	338.157682
ΔH_f, kcal/mol:	-480.95
Dipole, Da:	6.99
IP(EA), eV:	-10.48(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butane-1,4-diol;2-butoxypropane-1,2,3-tricarboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations