Geometry & MOs

Info

ID:	6549
PubChem CID:	68852
Reduced:	O4N6C23H30 (1)
Stoich.:	A4B6C23D30 (1)
Weight, g/mol:	454.232853
ΔH_f, kcal/mol:	-112.67
Dipole, Da:	6.27
IP(EA), eV:	-8.2(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-[[2-hydroxy-3-[(2-methyl-1H-indol-4-yl)oxy]propyl]amino]butyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C)O

DOS

IR

Vibrations