Geometry & MOs

Info

ID:	194373
PubChem CID:	78525225
Reduced:	N2F3O3H19C22 (1)
Stoich.:	A2B3C3D19E22 (1)
Weight, g/mol:	342.082741
ΔH_f, kcal/mol:	-199.49
Dipole, Da:	2.61
IP(EA), eV:	-9.14(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(trifluoromethyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C=CC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations