Geometry & MOs

Info

ID:	326191
PubChem CID:	126687038
Reduced:	ClFN6H12C14 (1)
Stoich.:	ABC6D12E14 (1)
Weight, g/mol:	261.068033
ΔH_f, kcal/mol:	59.45
Dipole, Da:	3.89
IP(EA), eV:	-9.05(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexane-1,2-diol

Drug info:

PubChemData

Smile

C1C(CN1)NC2=NC(=NC=C2F)C3=CNC4=C3C=C(C=N4)Cl

DOS

IR

Vibrations