Geometry & MOs

Info

ID:	165461
PubChem CID:	74552752
Reduced:	SO2N4H16C19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	433.296737
ΔH_f, kcal/mol:	45.65
Dipole, Da:	7.28
IP(EA), eV:	-8.9(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-1,2-dimethylindole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(C(C(=O)NC2=S)C=C3N=C4C=CC=CC4=N3)O

DOS

IR

Vibrations