Geometry & MOs

Info

ID:	39311
PubChem CID:	8140214
Reduced:	FN3O4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	405.11777
ΔH_f, kcal/mol:	-154.71
Dipole, Da:	1.58
IP(EA), eV:	-8.61(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[4-(3-bromophenoxy)butanoylamino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)COC(=O)COC2=CC(=CC=C2)F

DOS

IR

Vibrations