Geometry & MOs

Info

ID:	278
PubChem CID:	2486
Reduced:	NO5C16H29 (1)
Stoich.:	AB5C16D29 (1)
Weight, g/mol:	315.204573
ΔH_f, kcal/mol:	-279.26
Dipole, Da:	8.42
IP(EA), eV:	-10.06(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-ethylhexylamino)-4-oxobutan-2-yl]oxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCC(CC)CNC(=O)CC(C)OC(=O)CCC(=O)O

DOS

IR

Vibrations