Geometry & MOs

Info

ID:	289147
PubChem CID:	104337562
Reduced:	OSF2N3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-89.6
Dipole, Da:	3.75
IP(EA), eV:	-9.57(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)N)C2=CC=C(C=C2)SC(F)F

DOS

IR

Vibrations