Geometry & MOs

Info

ID:	58741
PubChem CID:	24714802
Reduced:	SO2N3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	-62.38
Dipole, Da:	2.5
IP(EA), eV:	-8.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CNCCOC)C

DOS

IR

Vibrations