Geometry & MOs

Info

ID:	167433
PubChem CID:	74827674
Reduced:	ClNOH22C24 (1)
Stoich.:	ABCD22E24 (1)
Weight, g/mol:	427.117795
ΔH_f, kcal/mol:	30.06
Dipole, Da:	4.01
IP(EA), eV:	-9.16(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(2-bicyclo[2.2.1]heptanylamino)-2-chloropurin-9-yl]-5-(chloromethyl)-3-methyloxolane-3,4-diol

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations