Geometry & MOs

Info

ID:	343343
PubChem CID:	127266516
Reduced:	NF2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-171.46
Dipole, Da:	5.62
IP(EA), eV:	-9.83(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CC1N(CC(F)F)C(=O)C=CC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations