Geometry & MOs

Info

ID:	411580
PubChem CID:	135084412
Reduced:	NOC4H6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	246.93927
ΔH_f, kcal/mol:	-26.49
Dipole, Da:	4.36
IP(EA), eV:	-8.53(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(Z)-3-bromo-3-fluoroprop-2-enoxy]-2-cyano-2-diazonioethenolate

Drug info:

PubChemData

Smile

CC1=NOC(=C1)/C=C(\COC)/N

DOS

IR

Vibrations