Geometry & MOs

Info

ID:	162342
PubChem CID:	57394364
Reduced:	BrFO3N5H17C20 (1)
Stoich.:	ABC3D5E17F20 (1)
Weight, g/mol:	492.262422
ΔH_f, kcal/mol:	-48.28
Dipole, Da:	7.48
IP(EA), eV:	-9.21(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-phenoxypentyl)piperidin-3-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=C(C=CC(=C2)F)Br)C3=NN=C(C=C3)C4=CN=CC(=N4)C(=O)O

DOS

IR

Vibrations