Geometry & MOs

Info

ID:	362149
PubChem CID:	127305835
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-15.7
Dipole, Da:	8.31
IP(EA), eV:	-9.58(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)N4C=NN=C4

DOS

IR

Vibrations