Geometry & MOs

Info

ID:	233421
PubChem CID:	90271486
Reduced:	ON8C30H32 (1)
Stoich.:	AB8C30D32 (1)
Weight, g/mol:	176.11091
ΔH_f, kcal/mol:	121.55
Dipole, Da:	6.78
IP(EA), eV:	-7.77(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-1-(2-methylsulfanyloxyethyl)pyrrolidin-1-ium

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=CC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CC(=CN=C6)NC(=O)C7CCCC7)NN4)/N=C32

DOS

IR

Vibrations