Geometry & MOs

Info

ID:	228867
PubChem CID:	87566013
Reduced:	N2O6H10C11 (1)
Stoich.:	A2B6C10D11 (1)
Weight, g/mol:	266.136553
ΔH_f, kcal/mol:	-136.02
Dipole, Da:	9.06
IP(EA), eV:	-10.1(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxybutanedioic acid;propane-1,2-diol

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)C2(C=CC=CC2C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations