Geometry & MOs

Info

ID:	370726
PubChem CID:	127340004
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	315.20591
ΔH_f, kcal/mol:	-24.99
Dipole, Da:	4.21
IP(EA), eV:	-8.64(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=NN2)C(=O)C3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations