Geometry & MOs

Info

ID:	221468
PubChem CID:	85273741
Reduced:	ClNO4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	309.135638
ΔH_f, kcal/mol:	-154.66
Dipole, Da:	4.71
IP(EA), eV:	-9.45(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(2-amino-6-chloropurin-9-yl)methyl]-2,2-dimethylcyclopentyl]methanol

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)C(=CC1=CC=C(C=C1)Cl)NC(=O)C

DOS

IR

Vibrations