Geometry & MOs

Info

ID:	226914
PubChem CID:	87558923
Reduced:	NO3C4H11 (1)
Stoich.:	AB3C4D11 (1)
Weight, g/mol:	528.290055
ΔH_f, kcal/mol:	-162.68
Dipole, Da:	2.0
IP(EA), eV:	-10.56(1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]-3-[5-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C(CC(N)(O)O)CO

DOS

IR

Vibrations