Geometry & MOs

Info

ID:	231124
PubChem CID:	87572709
Reduced:	BNF4O4C21H34 (1)
Stoich.:	ABC4D4E21F34 (1)
Weight, g/mol:	364.248784
ΔH_f, kcal/mol:	-466.65
Dipole, Da:	15.01
IP(EA), eV:	-9.74(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl 2-[2-benzyl-1-(2-tert-butylperoxyethyl)aziridin-1-ium-1-yl]acetate

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CC(C)(C)OC(=O)C[N+]1(CC1CC2=CC=CC=C2)CCOOC(C)(C)C

DOS

IR

Vibrations