Geometry & MOs

Info

ID:	439325
PubChem CID:	135229096
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-89.66
Dipole, Da:	3.98
IP(EA), eV:	-9.69(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(1,3-benzodioxol-5-yl)propoxy]-N-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCOCC(C=O)OCC1=CC=CC=C1

DOS

IR

Vibrations