Geometry & MOs

Info

ID:	153480
PubChem CID:	56312703
Reduced:	FO3N4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	451.22712
ΔH_f, kcal/mol:	-93.26
Dipole, Da:	5.47
IP(EA), eV:	-9.37(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCNC(=O)CN1CCCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations