Geometry & MOs

Info

ID:	136159
PubChem CID:	51988571
Reduced:	NCl2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	400.14796
ΔH_f, kcal/mol:	-57.27
Dipole, Da:	4.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.162201
Charge, e:	1

Chem-info

IUPAC name:

[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-[2-(4-fluorophenyl)ethyl]azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations