Geometry & MOs

Info

ID:	153380
PubChem CID:	56312568
Reduced:	N2F3O3C21H25 (1)
Stoich.:	A2B3C3D21E25 (1)
Weight, g/mol:	424.14345
ΔH_f, kcal/mol:	-239.13
Dipole, Da:	3.43
IP(EA), eV:	-8.2(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate

Drug info:

PubChemData

Smile

CN(CCNC(=O)CCC1=CC(=C(C=C1)OCC(F)(F)F)OC)C2=CC=CC=C2

DOS

IR

Vibrations