Geometry & MOs

Info

ID:	328885
PubChem CID:	126728734
Reduced:	NO8C22H39 (1)
Stoich.:	AB8C22D39 (1)
Weight, g/mol:	291.131802
ΔH_f, kcal/mol:	-355.37
Dipole, Da:	2.97
IP(EA), eV:	-11.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-4-(3,3-dihydroxypropyl)heptanedioic acid

Drug info:

PubChemData

Smile

CC(C)COC(=O)CCC(CCC(=O)OCC(C)C)(CCC(=O)OCC(C)C)[N+](=O)[O-]

DOS

IR

Vibrations