Geometry & MOs

Info

ID:	430699
PubChem CID:	135170765
Reduced:	FO2N4C27H27 (1)
Stoich.:	AB2C4D27E27 (1)
Weight, g/mol:	306.057532
ΔH_f, kcal/mol:	-18.62
Dipole, Da:	4.78
IP(EA), eV:	-8.98(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dipyridin-3-ylthieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=C(C3=CC=CC=C3O2)C#N)C(=O)C4=CC5=C(N4)C=CC(=C5)F

DOS

IR

Vibrations