Geometry & MOs

Info

ID:	193054
PubChem CID:	78337590
Reduced:	PN5O7C10H12 (1)
Stoich.:	AB5C7D10E12 (1)
Weight, g/mol:	479.099646
ΔH_f, kcal/mol:	-237.62
Dipole, Da:	6.71
IP(EA), eV:	-9.88(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-8-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-7-methyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

C1=NC2C(=NC(=NC2=O)N)N1C3C(C(C(O3)CP(=O)([O-])[O-])O)O

DOS

IR

Vibrations