Geometry & MOs

Info

ID:	156104
PubChem CID:	56369136
Reduced:	ClN2O6H21C22 (1)
Stoich.:	AB2C6D21E22 (1)
Weight, g/mol:	408.03525
ΔH_f, kcal/mol:	-163.57
Dipole, Da:	6.14
IP(EA), eV:	-8.49(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[(2-piperidin-1-ylpyridin-3-yl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)NCC(COC2=CC3=C(C=C2)OCO3)O)Cl)N4C=CC=C4

DOS

IR

Vibrations