Geometry & MOs

Info

ID:	330436
PubChem CID:	127247423
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	3.18
Dipole, Da:	3.95
IP(EA), eV:	-9.14(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCC(=O)N2CCCC(C2)C3=CC=NN3

DOS

IR

Vibrations