Geometry & MOs

Info

ID:	288700
PubChem CID:	104324034
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	280.169939
ΔH_f, kcal/mol:	-32.24
Dipole, Da:	2.18
IP(EA), eV:	-8.56(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

CCCNC1=NC=CC(=N1)N2CC3CCC(C3C2)O

DOS

IR

Vibrations