Geometry & MOs

Info

ID:	15812
PubChem CID:	452094
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	263.138225
ΔH_f, kcal/mol:	-41.8
Dipole, Da:	2.52
IP(EA), eV:	-8.86(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol

Drug info:

PubChemData

Smile

CCC1=NC(=C2C(=N1)N(C=N2)[C@H]3CC[C@H](O3)CO)N

DOS

IR

Vibrations