Geometry & MOs

Info

ID:	153392
PubChem CID:	56312580
Reduced:	FO3N4H19C25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	445.216555
ΔH_f, kcal/mol:	-32.56
Dipole, Da:	10.95
IP(EA), eV:	-9.4(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)C2=CC(=CC=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations