Geometry & MOs

Info

ID:	198287
PubChem CID:	79081003
Reduced:	ClFN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	244.089102
ΔH_f, kcal/mol:	-26.59
Dipole, Da:	4.68
IP(EA), eV:	-9.23(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-5-fluoropyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine

Drug info:

PubChemData

Smile

C1CCC2(C1)CCN(CC2)C3=NC(=NC=C3F)Cl

DOS

IR

Vibrations