Geometry & MOs

Info

ID:	17791
PubChem CID:	519931
Reduced:	ON4C6H6 (1)
Stoich.:	AB4C6D6 (1)
Weight, g/mol:	150.054161
ΔH_f, kcal/mol:	4.44
Dipole, Da:	2.98
IP(EA), eV:	-9.11(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one

Drug info:

PubChemData

Smile

C1C2=C(C(=NC=N2)N)NC1=O

DOS

IR

Vibrations