Geometry & MOs

Info

ID:	158942
PubChem CID:	57244261
Reduced:	ON6C28H38 (1)
Stoich.:	AB6C28D38 (1)
Weight, g/mol:	530.345483
ΔH_f, kcal/mol:	24.94
Dipole, Da:	5.59
IP(EA), eV:	-8.71(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(3-carboxyundecanoylperoxy)butoxy]-2-oxoethyl]decanoic acid

Drug info:

PubChemData

Smile

CC(CCC(N1CCCCC1)N2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N)CN(C)C

DOS

IR

Vibrations