Geometry & MOs

Info

ID:	160931
PubChem CID:	57390287
Reduced:	F2N2O3C28H30 (1)
Stoich.:	A2B2C3D28E30 (1)
Weight, g/mol:	354.184447
ΔH_f, kcal/mol:	-146.83
Dipole, Da:	5.05
IP(EA), eV:	-8.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-piperazin-1-ylphenyl)-5-pyridin-3-yl-1H-indole

Drug info:

PubChemData

Smile

C1CN(CCN1CC(COC2=C(C=C(C=C2)F)C(=O)CCC3=CC=CC=C3)O)C4=CC=C(C=C4)F

DOS

IR

Vibrations