Geometry & MOs

Info

ID:	166312
PubChem CID:	74669079
Reduced:	FON5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	423.208396
ΔH_f, kcal/mol:	12.77
Dipole, Da:	3.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.953471
Charge, e:	1

Chem-info

IUPAC name:

[1-(3-fluorophenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)C(=O)NCC(C3=CC(=CC=C3)F)[NH+](C)C)C

DOS

IR

Vibrations