Geometry & MOs

Info

ID:	333428
PubChem CID:	127251980
Reduced:	ClON3H22C23 (1)
Stoich.:	ABC3D22E23 (1)
Weight, g/mol:	348.220164
ΔH_f, kcal/mol:	27.65
Dipole, Da:	4.39
IP(EA), eV:	-9.56(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[2-[6-[(2-methylphenyl)methyl]pyridin-3-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)CC3=CC=CC=C3Cl)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations