Geometry & MOs

Info

ID:	365843
PubChem CID:	127318783
Reduced:	ClON5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	343.108754
ΔH_f, kcal/mol:	44.83
Dipole, Da:	2.01
IP(EA), eV:	-9.29(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-3-methyl-1-benzofuran-2-yl)-[2-(1H-pyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations