Geometry & MOs

Info

ID:	46260
PubChem CID:	10523539
Reduced:	ClON3H18C22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	375.196507
ΔH_f, kcal/mol:	65.95
Dipole, Da:	4.45
IP(EA), eV:	-8.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-1-ium;chloride

Drug info:

PubChemData

Smile

COCN1C(=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3Cl)C4=CC=NC=C4

DOS

IR

Vibrations