Geometry & MOs

Info

ID:	330322
PubChem CID:	127247309
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	5.02
Dipole, Da:	1.76
IP(EA), eV:	-9.37(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NC=CN1CC(=O)N2CCCCC2C3=C(C=NN3)C

DOS

IR

Vibrations