Geometry & MOs

Info

ID:	330323
PubChem CID:	127247310
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	14.56
Dipole, Da:	6.73
IP(EA), eV:	-9.05(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C=CC(=N1)C(=O)N2CCCCC2C3=C(C=NN3)C

DOS

IR

Vibrations