Geometry & MOs

Info

ID:	154104
PubChem CID:	56313492
Reduced:	FO2N4H25C27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	460.191069
ΔH_f, kcal/mol:	-2.31
Dipole, Da:	3.26
IP(EA), eV:	-8.84(-1.22)
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-(6-methylpyridin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC=CN1CC2=CC(=CC=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations