Geometry & MOs

Info

ID:	372750
PubChem CID:	131303903
Reduced:	NOH4C6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	189.06506
ΔH_f, kcal/mol:	-11.4
Dipole, Da:	3.86
IP(EA), eV:	-9.94(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)acetonitrile

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C3=C1C(=NC=N3)C(=O)O

DOS

IR

Vibrations