Geometry & MOs

Info

ID:	248418
PubChem CID:	103081481
Reduced:	ClF2N3O3C9H10 (1)
Stoich.:	AB2C3D3E9F10 (1)
Weight, g/mol:	289.123798
ΔH_f, kcal/mol:	-131.54
Dipole, Da:	5.49
IP(EA), eV:	-9.38(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(2,2-difluoroethoxy)ethylamino]-4-methylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1[N+](=O)[O-])NCCOCC(F)F)Cl

DOS

IR

Vibrations