Geometry & MOs

Info

ID:	387593
PubChem CID:	134986037
Reduced:	BSN2F4C7H7 (1)
Stoich.:	ABC2D4E7F7 (1)
Weight, g/mol:	161.084064
ΔH_f, kcal/mol:	-303.11
Dipole, Da:	9.12
IP(EA), eV:	-8.85(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenylbut-3-en-2-imine oxide

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.C1=CC=C2C(=C1)[NH+]=C(S2)N

DOS

IR

Vibrations