Geometry & MOs

Info

ID:	405296
PubChem CID:	135073353
Reduced:	N2O2F3H11C16 (1)
Stoich.:	A2B2C3D11E16 (1)
Weight, g/mol:	326.956525
ΔH_f, kcal/mol:	-121.09
Dipole, Da:	4.49
IP(EA), eV:	-8.87(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)but-3-enyl 2,2,2-trichloroethanimidate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#CC2=C(C=CC=N2)NC(=O)C(F)(F)F

DOS

IR

Vibrations