Geometry & MOs

Info

ID:	330321
PubChem CID:	127247308
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	6.52
Dipole, Da:	4.25
IP(EA), eV:	-9.4(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylimidazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)C(=O)N2CCCCC2C3=C(C=NN3)C

DOS

IR

Vibrations