Geometry & MOs

Info

ID:	311492
PubChem CID:	126592961
Reduced:	BrFO3N6H18C20 (1)
Stoich.:	ABC3D6E18F20 (1)
Weight, g/mol:	472.06586
ΔH_f, kcal/mol:	-19.98
Dipole, Da:	8.76
IP(EA), eV:	-9.7(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]-N-(2-cyanopyridin-4-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C(=NC2=CC(=C(C=C2)F)Br)NO)C(=O)NC3=CC(=NC=C3)C#N

DOS

IR

Vibrations