Geometry & MOs

Info

ID:	226184
PubChem CID:	87349866
Reduced:	NO2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	570.413169
ΔH_f, kcal/mol:	26.87
Dipole, Da:	6.41
IP(EA), eV:	-8.66(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trioctan-2-yl 2-acetyloxypropane-1,2,3-tricarboxylate

Drug info:

PubChemData

Smile

C[C@H](CCCCC(=O)O)OC1=NC=NC2=C1C(=C(O2)C3=CC=CC=C3)C4=C=CC=C4

DOS

IR

Vibrations