Geometry & MOs

Info

ID:	232808
PubChem CID:	87577090
Reduced:	ON3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	684.393631
ΔH_f, kcal/mol:	-6.81
Dipole, Da:	3.46
IP(EA), eV:	-8.2(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1,4-bis[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]butan-2-yloxy]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C(=C1C2=CNC3=CC=CC=C32)N4CCCC4)C)C)C(=O)N

DOS

IR

Vibrations