Geometry & MOs

Info

ID:	311433
PubChem CID:	126592776
Reduced:	BrFO2N4C14H16 (1)
Stoich.:	ABC2D4E14F16 (1)
Weight, g/mol:	472.06586
ΔH_f, kcal/mol:	-83.3
Dipole, Da:	5.37
IP(EA), eV:	-9.26(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]-N-(5-cyanopyridin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C(=NC2=CC(=C(C=C2)F)Br)N)C(=O)N

DOS

IR

Vibrations