Geometry & MOs

Info

ID:	370680
PubChem CID:	127339854
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	5.92
Dipole, Da:	5.93
IP(EA), eV:	-9.01(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzofuran-2-yl)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCN(CC2)C(=O)CCN3C4=CC=CC=C4C(=O)C=N3

DOS

IR

Vibrations