Geometry & MOs

Info

ID:	136193
PubChem CID:	51995466
Reduced:	NO2Cl3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	434.108988
ΔH_f, kcal/mol:	-52.6
Dipole, Da:	3.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.001310
Charge, e:	1

Chem-info

IUPAC name:

[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl-[(1R)-1-phenylethyl]azanium

Drug info:

PubChemData

Smile

CCCC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=C(C=CC=C2Cl)Cl)OC

DOS

IR

Vibrations