Geometry & MOs

Info

ID:	210910
PubChem CID:	80870295
Reduced:	FON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	226.122989
ΔH_f, kcal/mol:	-28.12
Dipole, Da:	2.55
IP(EA), eV:	-9.09(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC)OC2=CC=C(C=C2)F

DOS

IR

Vibrations