Geometry & MOs

Info

ID:	154115
PubChem CID:	56313504
Reduced:	FN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	453.24277
ΔH_f, kcal/mol:	-110.92
Dipole, Da:	9.83
IP(EA), eV:	-9.12(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]-N-hexylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1CCCN(C1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations