Geometry & MOs

Info

ID:	370697
PubChem CID:	127339889
Reduced:	FON2C10H11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	-128.47
Dipole, Da:	8.13
IP(EA), eV:	-9.3(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCN(CC2)C(=O)C3CC(=O)N(C3)C4=CC(=CC(=C4)F)F

DOS

IR

Vibrations