Geometry & MOs

Info

ID:	58728
PubChem CID:	24714784
Reduced:	OSN3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	301.088498
ΔH_f, kcal/mol:	19.18
Dipole, Da:	4.07
IP(EA), eV:	-8.73(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methoxyphenyl)-2-(methylaminomethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCNCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

DOS

IR

Vibrations