Geometry & MOs

Info

ID:	198293
PubChem CID:	79081609
Reduced:	ClFN4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	244.089102
ΔH_f, kcal/mol:	28.6
Dipole, Da:	3.44
IP(EA), eV:	-8.77(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-fluoro-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1CCN(C(C1)C2=CC=CC=C2)C3=NC(=NC=C3F)Cl

DOS

IR

Vibrations