Geometry & MOs

Info

ID:	232293
PubChem CID:	87575903
Reduced:	NO7C17H37 (1)
Stoich.:	AB7C17D37 (1)
Weight, g/mol:	385.179027
ΔH_f, kcal/mol:	-325.38
Dipole, Da:	3.98
IP(EA), eV:	-9.28(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1Z)-1-(5-benzyl-4,5-dimethyl-3,6-dioxopiperazin-2-ylidene)ethyl]-3-ethenylbenzonitrile

Drug info:

PubChemData

Smile

CCOCC.C1COCCOCCOC(COCCOCCO1)CN

DOS

IR

Vibrations