Geometry & MOs

Info

ID:	184978
PubChem CID:	77236602
Reduced:	NF2O6H25C28 (1)
Stoich.:	AB2C6D25E28 (1)
Weight, g/mol:	348.26376
ΔH_f, kcal/mol:	-282.03
Dipole, Da:	7.67
IP(EA), eV:	-8.96(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pentan-2-yloxy-9-(3-piperidin-1-ylpropyl)-7,8-dihydropurin-6-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(C=CC(=C2)CCC(C(CCN3C(=O)C4=CC=CC=C4C3=O)C(=O)O)O)F)F

DOS

IR

Vibrations