Geometry & MOs

Info

ID:	226841
PubChem CID:	87558592
Reduced:	ON2H4C5 (1)
Stoich.:	AB2C4D5 (1)
Weight, g/mol:	446.200571
ΔH_f, kcal/mol:	32.56
Dipole, Da:	0.21
IP(EA), eV:	-9.09(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-fluoro-4-hydroxyphenyl)-3-[5-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1C(=C=O)N=CC=N1

DOS

IR

Vibrations