Geometry & MOs

Info

ID:	226294
PubChem CID:	87350380
Reduced:	N2O10C27H38 (1)
Stoich.:	A2B10C27D38 (1)
Weight, g/mol:	258.01168
ΔH_f, kcal/mol:	-453.71
Dipole, Da:	8.42
IP(EA), eV:	-9.64(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylpentanoic acid;hydroiodide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)OCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC=O)C(=O)O)C(=O)O

DOS

IR

Vibrations