Geometry & MOs

Info

ID:	152038
PubChem CID:	56310889
Reduced:	O3N5C26H27 (1)
Stoich.:	A3B5C26D27 (1)
Weight, g/mol:	326.179442
ΔH_f, kcal/mol:	22.4
Dipole, Da:	1.17
IP(EA), eV:	-9.1(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NN=C(O3)C4=C(ON=C4C5=CC=CC=C5)C

DOS

IR

Vibrations