Geometry & MOs

Info

ID:	154617
PubChem CID:	56314089
Reduced:	FN3O4C27H28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	397.216555
ΔH_f, kcal/mol:	-95.16
Dipole, Da:	4.98
IP(EA), eV:	-8.41(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations