Geometry & MOs

Info

ID:	201679
PubChem CID:	79568780
Reduced:	OF3N3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	291.242296
ΔH_f, kcal/mol:	-143.09
Dipole, Da:	5.84
IP(EA), eV:	-8.35(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopentylpiperazin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNC2=CC=C(C=C2)OCC(F)(F)F

DOS

IR

Vibrations