Geometry & MOs

Info

ID:	231509
PubChem CID:	87573969
Reduced:	N2C11H26 (1)
Stoich.:	A2B11C26 (1)
Weight, g/mol:	322.092912
ΔH_f, kcal/mol:	-35.89
Dipole, Da:	1.42
IP(EA), eV:	-8.47(2.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCNC(C)N(CC)CC

DOS

IR

Vibrations