Geometry & MOs

Info

ID:	181388
PubChem CID:	76740995
Reduced:	ClO2N4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	344.140389
ΔH_f, kcal/mol:	-43.65
Dipole, Da:	5.57
IP(EA), eV:	-8.97(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(NC1)C(=O)CC2=CC(=C(C=N2)Cl)C3=NC(=CC=C3)NCC4CCOCC4

DOS

IR

Vibrations