Geometry & MOs

Info

ID:	184869
PubChem CID:	77221459
Reduced:	BrClON2H4C8 (1)
Stoich.:	ABCD2E4F8 (1)
Weight, g/mol:	487.268236
ΔH_f, kcal/mol:	40.93
Dipole, Da:	4.0
IP(EA), eV:	-9.88(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[5-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxy-5-oxopentan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC2=NN=C(C(=O)C21)Br)Cl

DOS

IR

Vibrations