Geometry & MOs

Info

ID:	154365
PubChem CID:	56313782
Reduced:	BrFO2N3H19C20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	355.205991
ΔH_f, kcal/mol:	-75.69
Dipole, Da:	3.9
IP(EA), eV:	-9.33(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-2-piperidin-1-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)Br)C3=CC=CC=C3F

DOS

IR

Vibrations