Geometry & MOs

Info

ID:	15631
PubChem CID:	446357
Reduced:	OH5N5C7 (1)
Stoich.:	AB5C5D7 (1)
Weight, g/mol:	175.04941
ΔH_f, kcal/mol:	49.6
Dipole, Da:	11.78
IP(EA), eV:	-9.49(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C2=C(N1)NC(=NC2=O)N)C#N

DOS

IR

Vibrations