Geometry & MOs

Info

ID:	166957
PubChem CID:	74758353
Reduced:	SN3O3C21H29 (1)
Stoich.:	AB3C3D21E29 (1)
Weight, g/mol:	447.250849
ΔH_f, kcal/mol:	-119.31
Dipole, Da:	9.36
IP(EA), eV:	-8.61(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[4,7-dimethyl-2-(naphthalen-1-ylmethyl)-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl]propyl-dimethylazanium

Drug info:

PubChemData

Smile

CCN1C(=O)C2CCC(CC2NC1=S)C(=O)NCCCOCC3=CC=CC=C3

DOS

IR

Vibrations