Geometry & MOs

Info

ID:	18353
PubChem CID:	539805
Reduced:	ON5C10H15 (1)
Stoich.:	AB5C10D15 (1)
Weight, g/mol:	221.12766
ΔH_f, kcal/mol:	-19.72
Dipole, Da:	5.62
IP(EA), eV:	-9.0(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1C2=C(CN1C(=O)C)C(=NC(=N2)N)N

DOS

IR

Vibrations