Geometry & MOs

Info

ID:	328635
PubChem CID:	126726164
Reduced:	SF3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	381.123501
ΔH_f, kcal/mol:	-75.04
Dipole, Da:	3.97
IP(EA), eV:	-9.21(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-hexylthiophen-2-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine

Drug info:

PubChemData

Smile

CCCCCCC1=CC=C(S1)C2=CN=C(N=C2)C3=NNC(=C3)C(F)(F)F

DOS

IR

Vibrations