Geometry & MOs

Info

ID:	248483
PubChem CID:	103081982
Reduced:	OF2N2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	-88.33
Dipole, Da:	5.33
IP(EA), eV:	-8.9(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxycyclopentyl)-4-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1CCC(C1)NC2=C(C=C(C=C2F)C#N)F

DOS

IR

Vibrations