Geometry & MOs

Info

ID:	320175
PubChem CID:	126658554
Reduced:	N5O5C16H25 (1)
Stoich.:	A5B5C16D25 (1)
Weight, g/mol:	308.148455
ΔH_f, kcal/mol:	-201.24
Dipole, Da:	7.25
IP(EA), eV:	-9.08(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R,3R)-3,4-dihydroxy-5-(2-methylbutyl)oxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

CCC(C)(CC)CC1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)N=C(N3)N)NC2=O)O)O

DOS

IR

Vibrations