Geometry & MOs

Info

ID:	287457
PubChem CID:	104242723
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	303.120547
ΔH_f, kcal/mol:	-30.84
Dipole, Da:	3.1
IP(EA), eV:	-9.41(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopentyl-2-[(4-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)N)C2CCCC2

DOS

IR

Vibrations