Geometry & MOs

Info

ID:	232374
PubChem CID:	87576089
Reduced:	ClO3N4H7F8C14 (1)
Stoich.:	AB3C4D7E8F14 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-464.71
Dipole, Da:	7.05
IP(EA), eV:	-10.12(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-methyl-1-phenylpent-1-en-3-yl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C(C(F)(F)F)(F)F)C(F)(F)F)C(=O)NC2=NC=C(C(=C2)C(=O)O)Cl

DOS

IR

Vibrations