Geometry & MOs

Info

ID:	173387
PubChem CID:	75633229
Reduced:	ON3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	298.125218
ΔH_f, kcal/mol:	55.77
Dipole, Da:	3.58
IP(EA), eV:	-8.77(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-prop-1-enylpenta-2,4-dienylsulfanyl)-7,8-dihydro-6H-purino[7,8-a]pyrrole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC=NNC(=O)CN2C=CC3=CC=CC=C32

DOS

IR

Vibrations