Geometry & MOs

Info

ID:	330338
PubChem CID:	127247325
Reduced:	ON5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	315.20591
ΔH_f, kcal/mol:	-3.37
Dipole, Da:	4.51
IP(EA), eV:	-9.17(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCC(=O)N2CCCCC2C3=C(C=NN3)C

DOS

IR

Vibrations