Geometry & MOs

Info

ID:	309007
PubChem CID:	126534172
Reduced:	SF3N7C23H26 (1)
Stoich.:	AB3C7D23E26 (1)
Weight, g/mol:	342.093918
ΔH_f, kcal/mol:	-32.35
Dipole, Da:	6.97
IP(EA), eV:	-8.76(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(5-pyridin-4-yl-1,2-dihydropyrazol-3-ylidene)-4-thiophen-3-ylindole

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCCCN2C[C@H]3CCN(C3C2)C4=CC=C(C=C4)C(F)(F)F)C5=NC=NC=C5

DOS

IR

Vibrations