Geometry & MOs

Info

ID:	231717
PubChem CID:	87574509
Reduced:	BrNF3O3H19C20 (1)
Stoich.:	ABC3D3E19F20 (1)
Weight, g/mol:	193.082447
ΔH_f, kcal/mol:	-240.84
Dipole, Da:	5.3
IP(EA), eV:	-8.81(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(trimethylazaniumyl)acetate;carbamoperoxoate

Drug info:

PubChemData

Smile

C1CN(CCC12CC(C3=C(O2)C(=CC=C3)Br)O)C4=CC(=C(C=C4)OC(F)F)F

DOS

IR

Vibrations