Geometry & MOs

Info

ID:	333481
PubChem CID:	127252033
Reduced:	ClON3H20C22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	347.17461
ΔH_f, kcal/mol:	34.97
Dipole, Da:	5.31
IP(EA), eV:	-9.54(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(1-methylpyrazol-4-yl)pyridin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)C3=CC(=CC=C3)Cl)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations