Geometry & MOs

Info

ID:	328639
PubChem CID:	126726180
Reduced:	SF2N4H14C24 (1)
Stoich.:	AB2C4D14E24 (1)
Weight, g/mol:	311.05509
ΔH_f, kcal/mol:	57.59
Dipole, Da:	4.24
IP(EA), eV:	-8.91(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-1H-pyrazol-3-yl)-4-(2-methylthieno[2,3-b]thiophen-5-yl)pyridine

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=CC(=NC(=N2)C3=CC4=C(N3)C=CC(=C4)F)C5=CC6=C(N5)C=CC(=C6)F

DOS

IR

Vibrations