Geometry & MOs

Info

ID:	433980
PubChem CID:	135174130
Reduced:	NOC13H19 (2)
Stoich.:	ABC13D19 (2)
Weight, g/mol:	516.226037
ΔH_f, kcal/mol:	-59.33
Dipole, Da:	3.84
IP(EA), eV:	-8.7(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-[2-(4-tritylpiperazine-1-carbonyl)oxyethoxy]butanoic acid

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)COC2=CC(=CC(=C2)CNCC3CNC3)OCC(C)C

DOS

IR

Vibrations