Geometry & MOs

Info

ID:	328193
PubChem CID:	126696570
Reduced:	ON6H22C23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	617.501924
ΔH_f, kcal/mol:	65.5
Dipole, Da:	5.67
IP(EA), eV:	-8.32(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nonyl 8-[2-hydroxyethyl-[8-oxo-8-(3-pentylphenoxy)octyl]amino]octanoate

Drug info:

PubChemData

Smile

CN1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)N4CCN(C4=O)CC5=CC=CC=C5

DOS

IR

Vibrations