Geometry & MOs

Info

ID:	159300
PubChem CID:	57269513
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	251.105862
ΔH_f, kcal/mol:	-34.68
Dipole, Da:	2.19
IP(EA), eV:	-7.92(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-methylphenyl)ethynyl]-4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ol

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=C1)C=CC(=C2OC)OC

DOS

IR

Vibrations