Geometry & MOs

Info

ID:	39298
PubChem CID:	8140107
Reduced:	NF3O4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	405.11777
ΔH_f, kcal/mol:	-253.62
Dipole, Da:	8.31
IP(EA), eV:	-9.4(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[4-(4-bromophenoxy)butanoylamino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)COC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations