Geometry & MOs

Info

ID:	163529
PubChem CID:	58030981
Reduced:	FNSO2 (1)
Stoich.:	ABCD2 (1)
Weight, g/mol:	528.142755
ΔH_f, kcal/mol:	-47.11
Dipole, Da:	1.6
IP(EA), eV:	-9.39(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-chloro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-4-(4-phenylphenyl)butane-1,3-dione

Drug info:

PubChemData

Smile

N(=O)OSF

DOS

IR

Vibrations