Geometry & MOs

Info

ID:	154198
PubChem CID:	56313603
Reduced:	FO3N5C23H24 (1)
Stoich.:	AB3C5D23E24 (1)
Weight, g/mol:	397.216555
ΔH_f, kcal/mol:	-65.63
Dipole, Da:	9.09
IP(EA), eV:	-9.06(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN2C(=NN(C2=O)CCCNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F)C1

DOS

IR

Vibrations