Geometry & MOs

Info

ID:	392611
PubChem CID:	135017344
Reduced:	N2O2H28C33 (1)
Stoich.:	A2B2C28D33 (1)
Weight, g/mol:	460.166604
ΔH_f, kcal/mol:	7.95
Dipole, Da:	6.58
IP(EA), eV:	-9.1(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-9-[(1R,2R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxymethyl)cyclopent-3-en-1-yl]purine

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=C4C(=C(C=C3)C5=CC=CC6=C5C=NC=C6)C=CC=C4C2=O

DOS

IR

Vibrations