Geometry & MOs

Info

ID:	145405
PubChem CID:	53517635
Reduced:	F3N3O4H10C12 (1)
Stoich.:	A3B3C4D10E12 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-289.44
Dipole, Da:	1.72
IP(EA), eV:	-10.1(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(E)-3-(1-tert-butylpyrazol-4-yl)prop-2-enoyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=N2)C(F)(F)F)C(=O)N(C1=O)CC(=O)OC

DOS

IR

Vibrations