Geometry & MOs

Info

ID:	312351
PubChem CID:	126604379
Reduced:	OC17H30 (1)
Stoich.:	AB17C30 (1)
Weight, g/mol:	411.274659
ΔH_f, kcal/mol:	-59.9
Dipole, Da:	2.4
IP(EA), eV:	-9.31(1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-[[6-[(4,6-dimethylpyridin-3-yl)methylamino]-9-propan-2-ylpurin-2-yl]amino]hexan-2-ol

Drug info:

PubChemData

Smile

CC/C=C\CCC(C)(/C=C/C/C=C\CC)C(C)O

DOS

IR

Vibrations