Geometry & MOs

Info

ID:	280301
PubChem CID:	103848275
Reduced:	BrNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	-136.84
Dipole, Da:	1.71
IP(EA), eV:	-8.26(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

C1COCC1(CNCC2=CC3=C(C=C2Br)OCO3)O

DOS

IR

Vibrations