Geometry & MOs

Info

ID:	193562
PubChem CID:	78406543
Reduced:	N5O6C12H15 (1)
Stoich.:	A5B6C12D15 (1)
Weight, g/mol:	316.099397
ΔH_f, kcal/mol:	-152.45
Dipole, Da:	6.0
IP(EA), eV:	-9.14(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-hydroxybutyl)-2-phenylsulfanyl-5H-purin-6-one

Drug info:

PubChemData

Smile

CC(=O)NC1=C2C(C(=O)N=N1)N(C=N2)C3C(C(C(O3)CO)O)O

DOS

IR

Vibrations