Geometry & MOs

Info

ID:	337647
PubChem CID:	127258270
Reduced:	BNSO6C11H16 (1)
Stoich.:	ABCD6E11F16 (1)
Weight, g/mol:	606.27413
ΔH_f, kcal/mol:	-283.86
Dipole, Da:	4.75
IP(EA), eV:	-9.42(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;1-(4-fluorophenyl)-4-[4-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

B(C1=CC(=CC(=C1)S(=O)(=O)N2CCOCC2)OC)(O)O

DOS

IR

Vibrations