Geometry & MOs

Info

ID:	136137
PubChem CID:	51986070
Reduced:	ON3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	471.161751
ΔH_f, kcal/mol:	110.5
Dipole, Da:	11.17
IP(EA), eV:	-3.94(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl-(3-morpholin-4-ylpropyl)azanium

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=CC=CC(=C2)C[NH2+]CCC[N+]3=CNC=C3

DOS

IR

Vibrations