Geometry & MOs

Info

ID:	140086
PubChem CID:	52643696
Reduced:	Cl2N3O3H9C18 (1)
Stoich.:	A2B3C3D9E18 (1)
Weight, g/mol:	411.999317
ΔH_f, kcal/mol:	57.77
Dipole, Da:	6.47
IP(EA), eV:	-9.28(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(E)-2-cyano-3-(2,6-dichlorophenyl)-3-oxoprop-1-enyl]phenyl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])/C=C(\C#N)/C(=O)C2=CNC3=C2C=CC(=C3)Cl)Cl

DOS

IR

Vibrations