Geometry & MOs

Info

ID:	177623
PubChem CID:	76204370
Reduced:	ON5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	285.056799
ΔH_f, kcal/mol:	44.98
Dipole, Da:	6.75
IP(EA), eV:	-8.68(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(3-chloro-4-fluorophenyl)prop-2-enoylamino]acetate

Drug info:

PubChemData

Smile

CC(=NC1=NN(C=C1)C)C2=CC3=C(C=C2)NC(=O)N3

DOS

IR

Vibrations