Geometry & MOs

Info

ID:	154548
PubChem CID:	56314010
Reduced:	N2F3O3C21H31 (1)
Stoich.:	A2B3C3D21E31 (1)
Weight, g/mol:	438.125882
ΔH_f, kcal/mol:	-285.24
Dipole, Da:	5.66
IP(EA), eV:	-8.85(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)N1CCCN(CC1)C(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations