Geometry & MOs

Info

ID:	425901
PubChem CID:	135129702
Reduced:	O4N5C24H27 (1)
Stoich.:	A4B5C24D27 (1)
Weight, g/mol:	404.289974
ΔH_f, kcal/mol:	-50.13
Dipole, Da:	4.23
IP(EA), eV:	-9.35(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-hexan-2-yl]oxy-6-(methylamino)-9-(4-piperidin-1-ylbutyl)-7H-purin-8-one

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)CC2=CNN(C2=O)C3=NC=C(C=C3)C(=O)NC4(CC4)C5CCOCC5

DOS

IR

Vibrations