Geometry & MOs

Info

ID:	210170
PubChem CID:	80769197
Reduced:	F2O3N5H9C11 (1)
Stoich.:	A2B3C5D9E11 (1)
Weight, g/mol:	294.092832
ΔH_f, kcal/mol:	-141.43
Dipole, Da:	2.56
IP(EA), eV:	-9.19(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-N-ethylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

COC1=NC(=NC(=N1)NC2=CC3=C(C=C2)OC(O3)(F)F)N

DOS

IR

Vibrations