Geometry & MOs

Info

ID:	220322
PubChem CID:	85177295
Reduced:	N3O5C9H15 (1)
Stoich.:	A3B5C9D15 (1)
Weight, g/mol:	245.091275
ΔH_f, kcal/mol:	-161.24
Dipole, Da:	3.88
IP(EA), eV:	-10.1(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-diamino-7-(furan-3-ylmethyl)-1,7-dihydropyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1C(C(C(O1)CN=[N+]=[N-])O)O

DOS

IR

Vibrations