Geometry & MOs

Info

ID:	312464
PubChem CID:	126605474
Reduced:	IN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	440.199445
ΔH_f, kcal/mol:	-39.13
Dipole, Da:	3.05
IP(EA), eV:	-8.72(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[2-(2,2-dimethylpropylamino)ethyl]-8-[(7-ethenyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]purin-6-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C2=CCCN=C21)I

DOS

IR

Vibrations