Geometry & MOs

Info

ID:	153760
PubChem CID:	56313071
Reduced:	N2F3O6H23C24 (1)
Stoich.:	A2B3C6D23E24 (1)
Weight, g/mol:	435.19582
ΔH_f, kcal/mol:	-300.47
Dipole, Da:	3.85
IP(EA), eV:	-8.65(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3)OCC(F)(F)F

DOS

IR

Vibrations