Geometry & MOs

Info

ID:	312461
PubChem CID:	126605430
Reduced:	N2C27H38 (1)
Stoich.:	A2B27C38 (1)
Weight, g/mol:	440.199445
ΔH_f, kcal/mol:	25.62
Dipole, Da:	0.59
IP(EA), eV:	-7.73(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C2C(CCC3=C(C=CC=C3C(C)C)C(CC(C2=CC=C1)C)C)N/C=C\N

DOS

IR

Vibrations