Geometry & MOs

Info

ID:	181390
PubChem CID:	76740997
Reduced:	BrON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	438.162267
ΔH_f, kcal/mol:	-46.54
Dipole, Da:	3.68
IP(EA), eV:	-8.81(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]pyridin-2-yl]pyridin-2-yl]-1-piperidin-3-ylethanone

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)CNC2=NC(=CC=C2)Br

DOS

IR

Vibrations