Geometry & MOs

Info

ID:	229337
PubChem CID:	87567434
Reduced:	NOC10H15 (3)
Stoich.:	ABC10D15 (3)
Weight, g/mol:	406.152016
ΔH_f, kcal/mol:	-139.26
Dipole, Da:	6.87
IP(EA), eV:	-8.06(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S,4S,5S)-4-[2-chloro-6-(cyclopentylamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)N(CCC2CCCCC2)C(=O)NC3=CC(=CC(=C3O)C(C)(C)C)OC

DOS

IR

Vibrations