Geometry & MOs

Info

ID:	311438
PubChem CID:	126592892
Reduced:	BrFON7H19C20 (1)
Stoich.:	ABCD7E19F20 (1)
Weight, g/mol:	510.08151
ΔH_f, kcal/mol:	70.9
Dipole, Da:	9.28
IP(EA), eV:	-8.77(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]-N-[(3,4-dicyanophenyl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C(=NC2=CC(=C(C=C2)F)Br)N)C3=CC=C(C=C3)N4C=NN=N4

DOS

IR

Vibrations