Geometry & MOs

Info

ID:	136169
PubChem CID:	51990673
Reduced:	NCl2O3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	400.14796
ΔH_f, kcal/mol:	-31.02
Dipole, Da:	29.12
IP(EA), eV:	-7.81(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl-[2-(2-methoxyphenyl)ethyl]azanium

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations