Geometry & MOs

Info

ID:	328836
PubChem CID:	126728340
Reduced:	N2F3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-125.99
Dipole, Da:	6.71
IP(EA), eV:	-9.29(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E)-5-(2,6-dimethylpyridin-4-yl)-2-methylidenehepta-3,5-dienoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)NCC2=C(N=CC=C2)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations