Geometry & MOs

Info

ID:	445735
PubChem CID:	135269213
Reduced:	O2N4C19H34 (1)
Stoich.:	A2B4C19D34 (1)
Weight, g/mol:	354.226705
ΔH_f, kcal/mol:	-89.32
Dipole, Da:	4.25
IP(EA), eV:	-8.04(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-(3-hydroxypropyl)-3-methyl-7-(3-methylbutyl)-8-propan-2-yloxy-2H-purin-6-one

Drug info:

PubChemData

Smile

CCCN1C(=C)N(C2=C(C1=O)N(C(N2C)OC(C)C)CCC(C)C)C

DOS

IR

Vibrations