Geometry & MOs

Info

ID:	21931
PubChem CID:	593920
Reduced:	NOCl4H5C9 (1)
Stoich.:	ABC4D5E9 (1)
Weight, g/mol:	284.909574
ΔH_f, kcal/mol:	-27.92
Dipole, Da:	3.31
IP(EA), eV:	-9.11(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3-trichloro-N-(4-chlorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)C(=C(Cl)Cl)Cl)Cl

DOS

IR

Vibrations