Geometry & MOs

Info

ID:	210860
PubChem CID:	80863886
Reduced:	SO3N5C12H13 (1)
Stoich.:	AB3C5D12E13 (1)
Weight, g/mol:	267.057468
ΔH_f, kcal/mol:	-3.37
Dipole, Da:	8.49
IP(EA), eV:	-9.2(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-ethyl-4-(2-fluorophenoxy)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=C(C=C1)[N+](=O)[O-])SC2=NC(=O)C=C(N2)C

DOS

IR

Vibrations