Geometry & MOs

Info

ID:	64724
PubChem CID:	29203912
Reduced:	FN2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	358.149284
ΔH_f, kcal/mol:	-79.14
Dipole, Da:	4.69
IP(EA), eV:	-8.87(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(=O)N2CCN(CC2)C3=CC=CC=C3F

DOS

IR

Vibrations