Geometry & MOs

Info

ID:	199537
PubChem CID:	79264840
Reduced:	NF3O4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	303.071842
ΔH_f, kcal/mol:	-302.38
Dipole, Da:	4.47
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-hydroxyphenyl)prop-2-enoyl-(2,2,2-trifluoroethyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)N(CC(=O)O)CC(F)(F)F

DOS

IR

Vibrations