Geometry & MOs

Info

ID:	55965
PubChem CID:	17397895
Reduced:	FON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	295.099063
ΔH_f, kcal/mol:	-31.89
Dipole, Da:	5.49
IP(EA), eV:	-9.06(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-methoxyethylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1F)C(=O)NC2=CN=CC=C2

DOS

IR

Vibrations