Geometry & MOs

Info

ID:	136140
PubChem CID:	51986773
Reduced:	FCl2N2O2C23H29 (1)
Stoich.:	AB2C2D2E23F29 (1)
Weight, g/mol:	455.166837
ΔH_f, kcal/mol:	-108.59
Dipole, Da:	5.19
IP(EA), eV:	-8.64(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

CCN1CCC[C@@H]1CNCC2=CC(=C(C(=C2)Cl)OCC3=C(C=CC=C3Cl)F)OCC

DOS

IR

Vibrations