Geometry & MOs

Info

ID:	330089
PubChem CID:	127247076
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	29.87
Dipole, Da:	9.06
IP(EA), eV:	-9.42(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(=O)N2CCC(C2)C3=CC=NN3

DOS

IR

Vibrations