Geometry & MOs

Info

ID:	328641
PubChem CID:	126726201
Reduced:	ON3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	347.05509
ΔH_f, kcal/mol:	22.73
Dipole, Da:	2.73
IP(EA), eV:	-9.07(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-1H-pyrazol-3-yl)-4-thieno[3,2-f][1]benzothiol-2-ylpyridine

Drug info:

PubChemData

Smile

CCCCCCC1=CC(=CO1)C2=CC(=NC=C2)C3=NNC(=C3)C

DOS

IR

Vibrations