Geometry & MOs

Info

ID:	203097
PubChem CID:	79778421
Reduced:	FCl2N4H9C12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	289.099731
ΔH_f, kcal/mol:	35.69
Dipole, Da:	7.47
IP(EA), eV:	-9.0(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[[(1-methylpyrazol-3-yl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2C3=CC(=C(C=C3N=C2CCl)Cl)F

DOS

IR

Vibrations