Geometry & MOs

Info

ID:	58740
PubChem CID:	24714799
Reduced:	SO2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	267.104148
ΔH_f, kcal/mol:	-88.92
Dipole, Da:	3.21
IP(EA), eV:	-8.49(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methoxyethylamino)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)(CN(C)CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1)O

DOS

IR

Vibrations