Geometry & MOs

Info

ID:	194766
PubChem CID:	78587898
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	271.041149
ΔH_f, kcal/mol:	-178.92
Dipole, Da:	3.6
IP(EA), eV:	-9.22(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] but-2-enoate

Drug info:

PubChemData

Smile

CC=CC(=O)OCC(=O)NC(=O)NCCC1=CCCCC1

DOS

IR

Vibrations