Geometry & MOs

Info

ID:	11272
PubChem CID:	112776
Reduced:	N2O4C19H38 (1)
Stoich.:	A2B4C19D38 (1)
Weight, g/mol:	358.283158
ΔH_f, kcal/mol:	-247.2
Dipole, Da:	2.59
IP(EA), eV:	-9.36(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)NCCN(CCC(=O)O)CCO

DOS

IR

Vibrations