Geometry & MOs

Info

ID:	153365
PubChem CID:	56312552
Reduced:	N2F3O4C24H29 (1)
Stoich.:	A2B3C4D24E29 (1)
Weight, g/mol:	447.19582
ΔH_f, kcal/mol:	-277.9
Dipole, Da:	4.49
IP(EA), eV:	-8.78(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations