Geometry & MOs

Info

ID:	210167
PubChem CID:	80769194
Reduced:	F2O2N3H13C14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	298.06776
ΔH_f, kcal/mol:	-129.08
Dipole, Da:	5.93
IP(EA), eV:	-8.51(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=CC=C1)NC2=CC3=C(C=C2)OC(O3)(F)F

DOS

IR

Vibrations