Geometry & MOs

Info

ID:	42624
PubChem CID:	8149786
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	-82.1
Dipole, Da:	2.56
IP(EA), eV:	-8.67(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 2-[(3,5-dimethylanilino)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)[C@@H](C)OC2=CC3=C(C=C2)OC4=CC=CC=C43

DOS

IR

Vibrations