Geometry & MOs

Info

ID:	248402
PubChem CID:	103081354
Reduced:	N2F3O3C10H11 (1)
Stoich.:	A2B3C3D10E11 (1)
Weight, g/mol:	277.098646
ΔH_f, kcal/mol:	-177.38
Dipole, Da:	7.37
IP(EA), eV:	-9.12(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(2,2-difluoroethoxy)ethyl]-6-N-methyl-5-nitropyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)[N+](=O)[O-])NCCOCC(F)F

DOS

IR

Vibrations