Geometry & MOs

Info

ID:	44831
PubChem CID:	10506088
Reduced:	ClO2N3C31H36 (1)
Stoich.:	AB2C3D31E36 (1)
Weight, g/mol:	517.295887
ΔH_f, kcal/mol:	-38.28
Dipole, Da:	6.13
IP(EA), eV:	-9.09(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5R)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-1-ium-3-yl] octanoate;chloride

Drug info:

PubChemData

Smile

CCCCCCN(CCCCCC)C(=O)/C=C/1\C2=NC3=CC=CC=C3C=C2C(=O)N1C4=CC=C(C=C4)Cl

DOS

IR

Vibrations