Geometry & MOs

Info

ID:	330285
PubChem CID:	127247272
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	315.20591
ΔH_f, kcal/mol:	-55.21
Dipole, Da:	6.26
IP(EA), eV:	-9.02(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations