Geometry & MOs

Info

ID:	16436
PubChem CID:	469074
Reduced:	ON5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	245.12766
ΔH_f, kcal/mol:	24.83
Dipole, Da:	2.28
IP(EA), eV:	-8.95(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5R)-5-(6-aminopurin-9-yl)cyclohex-3-en-1-yl]methanol

Drug info:

PubChemData

Smile

C1C=C[C@@H](C[C@@H]1CO)N2C=NC3=C(N=CN=C32)N

DOS

IR

Vibrations