Geometry & MOs

Info

ID:	328634
PubChem CID:	126726155
Reduced:	SO2N3H15C34 (1)
Stoich.:	AB2C3D15E34 (1)
Weight, g/mol:	380.128252
ΔH_f, kcal/mol:	342.7
Dipole, Da:	3.4
IP(EA), eV:	-9.03(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-hexylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine

Drug info:

PubChemData

Smile

C#CC#CC#CC#CC1=C(SC=C1)C#CC2=CC(=NC=C2)C3=NC(=CC(=C3)OC=O)C4=CC5=CC=CC=C5C=N4

DOS

IR

Vibrations