Geometry & MOs

Info

ID:	21805
PubChem CID:	591079
Reduced:	O3N5H13C14 (1)
Stoich.:	A3B5C13D14 (1)
Weight, g/mol:	299.101839
ΔH_f, kcal/mol:	-36.17
Dipole, Da:	3.06
IP(EA), eV:	-9.03(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-yl-(2,4-diamino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone

Drug info:

PubChemData

Smile

C1C2=C(CN1C(=O)C3=CC4=C(C=C3)OCO4)N=C(N=C2N)N

DOS

IR

Vibrations