Geometry & MOs

Info

ID:	370569
PubChem CID:	127339704
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	329.221561
ΔH_f, kcal/mol:	18.61
Dipole, Da:	1.92
IP(EA), eV:	-9.15(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylpyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCC(=O)N2CCC(CC2)C3=CN(N=C3)C

DOS

IR

Vibrations