Geometry & MOs

Info

ID:	365840
PubChem CID:	127318780
Reduced:	ClON5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	44.85
Dipole, Da:	2.65
IP(EA), eV:	-9.32(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1-[3-[2-(1H-pyrazol-4-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCCCC3C4=CNN=C4

DOS

IR

Vibrations