Geometry & MOs

Info

ID:	136138
PubChem CID:	51986771
Reduced:	FCl2N2O3C23H30 (1)
Stoich.:	AB2C2D3E23F30 (1)
Weight, g/mol:	455.166837
ΔH_f, kcal/mol:	-124.8
Dipole, Da:	4.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.135514
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C[NH2+]CCCN2CCOCC2)Cl)OCC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations