Geometry & MOs

Info

ID:	170668
PubChem CID:	75266163
Reduced:	O3N4C26H26 (1)
Stoich.:	A3B4C26D26 (1)
Weight, g/mol:	208.067034
ΔH_f, kcal/mol:	-56.48
Dipole, Da:	5.03
IP(EA), eV:	-9.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2,6-dimethyl-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC(NC(=O)C1C(=O)N2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)C5=CC=CC=N5

DOS

IR

Vibrations