Geometry & MOs

Info

ID:	408708
PubChem CID:	135081476
Reduced:	BSiC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	284.174945
ΔH_f, kcal/mol:	131.13
Dipole, Da:	1.48
IP(EA), eV:	-7.34(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-cyclopropyl-9-[(1S,4R)-4-ethylcyclopent-2-en-1-yl]purine-2,6-diamine

Drug info:

PubChemData

Smile

[B-][Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations