Geometry & MOs

Info

ID:	184313
PubChem CID:	77144803
Reduced:	SO2F3N6H25C27 (1)
Stoich.:	AB2C3D6E25F27 (1)
Weight, g/mol:	492.288912
ΔH_f, kcal/mol:	-132.43
Dipole, Da:	2.63
IP(EA), eV:	-9.09(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-4-[2-[5-[2-(1H-indol-6-yl)ethenyl]pyrazolidin-3-yl]ethenyl]-3-phenylmethoxyaniline

Drug info:

PubChemData

Smile

C1CN(CCC1CNCC2=C(N=CC=C2)C3=CC=C(C=C3)C(F)(F)F)C4=NC=CC(=N4)C=C5C(=O)NC(=O)S5

DOS

IR

Vibrations