Geometry & MOs

Info

ID:	166174
PubChem CID:	74645190
Reduced:	NSO3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	390.147211
ΔH_f, kcal/mol:	-121.56
Dipole, Da:	5.56
IP(EA), eV:	-9.02(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(4-chlorophenoxy)-3-pyrrolidin-1-ium-1-ylpropan-2-yl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)OC)C)C

DOS

IR

Vibrations