Geometry & MOs

Info

ID:	164655
PubChem CID:	74433135
Reduced:	NPO6C16H28 (1)
Stoich.:	ABC6D16E28 (1)
Weight, g/mol:	435.238273
ΔH_f, kcal/mol:	-338.78
Dipole, Da:	5.27
IP(EA), eV:	-8.82(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[9-propan-2-yl-6-(3-pyridin-2-ylanilino)purin-2-yl]amino]butan-1-ol;hydrate

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)CC(CO)(COP(=O)(O)O)N

DOS

IR

Vibrations