Geometry & MOs

Info

ID:	136194
PubChem CID:	51995534
Reduced:	FNCl2O2C23H23 (1)
Stoich.:	ABC2D2E23F23 (1)
Weight, g/mol:	438.083916
ΔH_f, kcal/mol:	-57.78
Dipole, Da:	6.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.014669
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)[NH2+]CC2=CC(=C(C(=C2)Cl)OCC3=C(C=C(C=C3)F)Cl)OC

DOS

IR

Vibrations