Geometry & MOs

Info

ID:	221453
PubChem CID:	85273719
Reduced:	ClO2N4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	308.140389
ΔH_f, kcal/mol:	-18.95
Dipole, Da:	6.08
IP(EA), eV:	-9.78(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(6-chloropurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol

Drug info:

PubChemData

Smile

CC1(OCC(O1)C2CC2CN3C=NC4=C3N=CN=C4Cl)C

DOS

IR

Vibrations