Geometry & MOs

Info

ID:	182212
PubChem CID:	76861536
Reduced:	FN2O4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	326.052527
ΔH_f, kcal/mol:	-159.81
Dipole, Da:	4.96
IP(EA), eV:	-9.1(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-2-(5-methylfuran-2-yl)-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)N2CCC(CC2)NC(=O)C=CC3=CC=C(C=C3)F)OC

DOS

IR

Vibrations