Geometry & MOs

Info

ID:	231547
PubChem CID:	87574085
Reduced:	O3C15H16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	322.092912
ΔH_f, kcal/mol:	-60.65
Dipole, Da:	1.85
IP(EA), eV:	-9.7(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-anilino-2-methyl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C=CC(C1=CC=CC=C1)OC(=O)C2CC3C(C2)O3

DOS

IR

Vibrations