Geometry & MOs

Info

ID:	280215
PubChem CID:	103847705
Reduced:	BrN2O2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	303.02185
ΔH_f, kcal/mol:	-60.1
Dipole, Da:	2.58
IP(EA), eV:	-8.82(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-bromo-4-methoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

C1COCC1(CNC2=NC=C(C=C2)Br)O

DOS

IR

Vibrations