Geometry & MOs

Info

ID:	170573
PubChem CID:	75254899
Reduced:	BrClFON3H14C16 (1)
Stoich.:	ABCDE3F14G16 (1)
Weight, g/mol:	404.117067
ΔH_f, kcal/mol:	-32.17
Dipole, Da:	5.08
IP(EA), eV:	-9.05(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chlorophenyl)piperazin-1-yl]-[5-(2-chlorophenyl)pyrazolidin-3-yl]methanone

Drug info:

PubChemData

Smile

C1C(NNC1C(=O)NC2=C(C=C(C=C2)F)Br)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations