Geometry & MOs

Info

ID:	19299
PubChem CID:	560277
Reduced:	NO5C12H21 (1)
Stoich.:	AB5C12D21 (1)
Weight, g/mol:	259.141973
ΔH_f, kcal/mol:	-255.05
Dipole, Da:	6.54
IP(EA), eV:	-10.56(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(octanoylamino)butanedioic acid

Drug info:

PubChemData

Smile

CCCCCCCC(=O)NC(CC(=O)O)C(=O)O

DOS

IR

Vibrations