Geometry & MOs

Info

ID:	156069
PubChem CID:	56368997
Reduced:	BrClON3C17H23 (1)
Stoich.:	ABCD3E17F23 (1)
Weight, g/mol:	438.03458
ΔH_f, kcal/mol:	-28.49
Dipole, Da:	3.68
IP(EA), eV:	-8.86(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-chloropyridin-3-yl)-[4-(2-ethoxyphenoxy)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCN(CC2)C(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations