Geometry & MOs

Info

ID:	128546
PubChem CID:	51049505
Reduced:	SN2O6H28C32 (1)
Stoich.:	AB2C6D28E32 (1)
Weight, g/mol:	362.27941
ΔH_f, kcal/mol:	-141.13
Dipole, Da:	4.37
IP(EA), eV:	-8.96(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[6-(butylamino)-9-propan-2-yl-7,8-dihydropurin-2-yl]piperidin-2-yl]ethanol

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC3=CC=C(C=C3)C[C@@H](C(=O)O)NC(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations