Geometry & MOs

Info

ID:	338558
PubChem CID:	127259569
Reduced:	ClN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	242.066697
ΔH_f, kcal/mol:	-12.67
Dipole, Da:	3.48
IP(EA), eV:	-9.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetonitrile

Drug info:

PubChemData

Smile

CCOCCCC/C(=N/OCC#N)/C1=CC=C(C=C1)Cl

DOS

IR

Vibrations