Geometry & MOs

Info

ID:	151530
PubChem CID:	53837763
Reduced:	FO2N3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	355.135448
ΔH_f, kcal/mol:	-25.31
Dipole, Da:	3.92
IP(EA), eV:	-8.73(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzylpiperazin-1-yl)sulfonyl-1H-indole

Drug info:

PubChemData

Smile

CC1=C(N(C2=C(N=NC=C12)OCC3=CC=C(C=C3)F)CC4=CC=CC=C4)CO

DOS

IR

Vibrations