Geometry & MOs

Info

ID:	183539
PubChem CID:	77035406
Reduced:	O2F3N4C12H13 (1)
Stoich.:	A2B3C4D12E13 (1)
Weight, g/mol:	270.092832
ΔH_f, kcal/mol:	-143.87
Dipole, Da:	4.72
IP(EA), eV:	-8.6(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2,4-difluorophenoxy)piperazin-2-ylidene]-nitrosomethanamine

Drug info:

PubChemData

Smile

C1C(NCC(=C(N)N=O)N1)OC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations