Geometry & MOs

Info

ID:	365155
PubChem CID:	127316959
Reduced:	OF2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	317.221561
ΔH_f, kcal/mol:	-53.32
Dipole, Da:	3.14
IP(EA), eV:	-8.78(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-(4-cyclobutylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C3=C4C=C(C=CC4=NC=C3C#N)OC(F)F

DOS

IR

Vibrations