Geometry & MOs

Info

ID:	46948
PubChem CID:	10528598
Reduced:	OSN4C28H36 (1)
Stoich.:	ABC4D28E36 (1)
Weight, g/mol:	476.197904
ΔH_f, kcal/mol:	6.98
Dipole, Da:	1.31
IP(EA), eV:	-7.55(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[[(1S,2S,3S)-2,3-bis(phenylmethoxymethyl)cyclopentyl]methyl]-6-chloropurine

Drug info:

PubChemData

Smile

CC1N(C(=O)C(S1)(C)C)CCCCN2CCN(CC2)C3=CN(C4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations