Geometry & MOs

Info

ID:	927
PubChem CID:	3543
Reduced:	N7C23H31 (1)
Stoich.:	A7B23C31 (1)
Weight, g/mol:	405.264094
ΔH_f, kcal/mol:	56.07
Dipole, Da:	2.52
IP(EA), eV:	-8.34(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(4-aminocyclohexyl)-6-N-benzyl-9-cyclopentylpurine-2,6-diamine

Drug info:

PubChemData

Smile

C1CCC(C1)N2C=NC3=C(N=C(N=C32)NC4CCC(CC4)N)NCC5=CC=CC=C5

DOS

IR

Vibrations