Geometry & MOs

Info

ID:	243898
PubChem CID:	99300580
Reduced:	SN3O5C25H25 (1)
Stoich.:	AB3C5D25E25 (1)
Weight, g/mol:	351.174691
ΔH_f, kcal/mol:	-106.32
Dipole, Da:	4.89
IP(EA), eV:	-9.15(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylindol-1-yl)ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations