Geometry & MOs

Info

ID:	338559
PubChem CID:	127259570
Reduced:	ON2F3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	306.140199
ΔH_f, kcal/mol:	-102.21
Dipole, Da:	1.45
IP(EA), eV:	-9.66(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-[6-methoxy-1-(4-methylsulfanylphenyl)hexylidene]amino]oxyacetonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=N\OCC#N)/C(F)(F)F

DOS

IR

Vibrations