Geometry & MOs

Info

ID:	154410
PubChem CID:	56313841
Reduced:	N2F3O3C20H29 (1)
Stoich.:	A2B3C3D20E29 (1)
Weight, g/mol:	477.206385
ΔH_f, kcal/mol:	-288.48
Dipole, Da:	5.9
IP(EA), eV:	-8.75(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)NC(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations