Geometry & MOs

Info

ID:	21823
PubChem CID:	591714
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-35.34
Dipole, Da:	2.93
IP(EA), eV:	-8.97(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCC(=O)N1CC2=C(C1)N=C(N=C2N)N

DOS

IR

Vibrations