Geometry & MOs

Info

ID:	248478
PubChem CID:	103081960
Reduced:	F2N2O3C13H16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	227.08254
ΔH_f, kcal/mol:	-208.34
Dipole, Da:	5.57
IP(EA), eV:	-9.1(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(3-methoxycyclopentyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)NCCOCC(F)F

DOS

IR

Vibrations