Geometry & MOs

Info

ID:	170228
PubChem CID:	75209667
Reduced:	F3N4O4C23H25 (1)
Stoich.:	A3B4C4D23E25 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-278.36
Dipole, Da:	6.6
IP(EA), eV:	-9.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(C=C3)COCC(F)(F)F

DOS

IR

Vibrations