Geometry & MOs

Info

ID:	171942
PubChem CID:	75444322
Reduced:	F3N3C17H24 (1)
Stoich.:	A3B3C17D24 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-137.35
Dipole, Da:	3.25
IP(EA), eV:	-8.68(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-7H-purin-6-amine

Drug info:

PubChemData

Smile

C1CN2CCN1CC2CNC(CCC3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations