Geometry & MOs

Info

ID:	163096
PubChem CID:	57639084
Reduced:	NC7H15 (2)
Stoich.:	AB7C15 (2)
Weight, g/mol:	462.199109
ΔH_f, kcal/mol:	-48.04
Dipole, Da:	0.5
IP(EA), eV:	-8.83(3.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[9-[(1R,2R)-2-hydroxycyclopentyl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CCNCCCC1CCC(CC1)CCCN

DOS

IR

Vibrations