Geometry & MOs

Info

ID:	399933
PubChem CID:	135043921
Reduced:	F5H9C14 (1)
Stoich.:	A5B9C14 (1)
Weight, g/mol:	98.024203
ΔH_f, kcal/mol:	-208.77
Dipole, Da:	3.8
IP(EA), eV:	-9.19(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(E)-2-isocyano-1-methoxyethenolate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)/C=C/C(C(F)(F)F)(F)F

DOS

IR

Vibrations