Geometry & MOs

Info

ID:	276990
PubChem CID:	103826170
Reduced:	OSN3C13H25 (1)
Stoich.:	ABC3D13E25 (1)
Weight, g/mol:	227.089247
ΔH_f, kcal/mol:	-61.89
Dipole, Da:	3.17
IP(EA), eV:	-8.73(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-(3-methylsulfanylcyclopentyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1(CCNC1)C(=O)NCCN2CCSCC2

DOS

IR

Vibrations