Geometry & MOs

Info

ID:	287974
PubChem CID:	104303446
Reduced:	ClFON3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-40.49
Dipole, Da:	1.45
IP(EA), eV:	-9.59(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(6-methoxypyrimidin-4-yl)-N-methylpropan-2-amine

Drug info:

PubChemData

Smile

COC1=NC=NC(=C1)CC(C2=CC(=C(C=C2)F)Cl)N

DOS

IR

Vibrations