Geometry & MOs

Info

ID:	149275
PubChem CID:	53788947
Reduced:	FO3N4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	412.222289
ΔH_f, kcal/mol:	-41.34
Dipole, Da:	3.34
IP(EA), eV:	-8.7(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[6-(1,3-benzodioxol-5-ylmethylamino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OCOCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)N=N

DOS

IR

Vibrations