Geometry & MOs

Info

ID:	231510
PubChem CID:	87573971
Reduced:	N2O2F3H13C16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	322.092912
ΔH_f, kcal/mol:	-173.99
Dipole, Da:	8.6
IP(EA), eV:	-9.09(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-anilino-2-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C/C(=C(/C1=CN=C(C=C1)C(F)(F)F)\NC2=CC=CC=C2)/C(=O)O

DOS

IR

Vibrations