Geometry & MOs

Info

ID:	188500
PubChem CID:	77724137
Reduced:	O2C15H17 (2)
Stoich.:	A2B15C17 (2)
Weight, g/mol:	341.196408
ΔH_f, kcal/mol:	-150.07
Dipole, Da:	7.62
IP(EA), eV:	-9.32(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[9-propan-2-yl-6-(pyridin-4-ylamino)purin-2-yl]amino]butan-2-ol

Drug info:

PubChemData

Smile

CCCCC(C)C1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)CC)C3=CC(=C(C=C3)C(=O)O)CC

DOS

IR

Vibrations