Geometry & MOs

Info

ID:	251287
PubChem CID:	103102772
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	294.078662
ΔH_f, kcal/mol:	-67.2
Dipole, Da:	4.32
IP(EA), eV:	-9.73(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-amino-2-oxoethyl)-ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=NC=NC2=C1C=CC(=C2)C(=O)O

DOS

IR

Vibrations