Geometry & MOs

Info

ID:	154074
PubChem CID:	56313461
Reduced:	FO2N4H21C23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	408.146091
ΔH_f, kcal/mol:	-11.47
Dipole, Da:	4.39
IP(EA), eV:	-8.05(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations