Geometry & MOs

Info

ID:	424110
PubChem CID:	135121349
Reduced:	ClNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	353.196725
ΔH_f, kcal/mol:	-96.63
Dipole, Da:	9.17
IP(EA), eV:	-9.53(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl undecanoate

Drug info:

PubChemData

Smile

CCC1=C(C(=O)C2=C(N1C3CC3)C(=C(C=C2)Cl)C)C(=O)O

DOS

IR

Vibrations