Geometry & MOs

Info

ID:	171356
PubChem CID:	75365803
Reduced:	OCl2F2N3C21H27 (1)
Stoich.:	AB2C2D3E21F27 (1)
Weight, g/mol:	373.196569
ΔH_f, kcal/mol:	-174.03
Dipole, Da:	3.13
IP(EA), eV:	-9.33(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCN(CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N.Cl.Cl

DOS

IR

Vibrations