Geometry & MOs

Info

ID:	254713
PubChem CID:	103127112
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	260.163711
ΔH_f, kcal/mol:	10.46
Dipole, Da:	4.58
IP(EA), eV:	-8.93(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[oxan-4-yl(pyrazolo[1,5-a]pyrazin-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1COCCC1C(C2=C3C=CC=CN3N=C2)N

DOS

IR

Vibrations