Geometry & MOs

Info

ID:	311439
PubChem CID:	126592893
Reduced:	BrFO2N6H20C23 (1)
Stoich.:	ABC2D6E20F23 (1)
Weight, g/mol:	507.09175
ΔH_f, kcal/mol:	7.26
Dipole, Da:	10.82
IP(EA), eV:	-9.39(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]-N-[6-(2-hydroxyethoxy)pyridin-3-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C(=NC2=CC(=C(C=C2)F)Br)N)C(=O)NCC3=CC(=C(C=C3)C#N)C#N

DOS

IR

Vibrations