Geometry & MOs

Info

ID:	343599
PubChem CID:	127266775
Reduced:	SN3O3C15H15 (1)
Stoich.:	AB3C3D15E15 (1)
Weight, g/mol:	308.138559
ΔH_f, kcal/mol:	13.68
Dipole, Da:	4.38
IP(EA), eV:	-8.08(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-aminopurin-9-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)C2=N/C(=C\3/C=C(C=CC3=O)OC)/ON2

DOS

IR

Vibrations