Geometry & MOs

Info

ID:	297796
PubChem CID:	117631373
Reduced:	N2O3C25H28 (1)
Stoich.:	A2B3C25D28 (1)
Weight, g/mol:	320.113648
ΔH_f, kcal/mol:	-58.83
Dipole, Da:	2.18
IP(EA), eV:	-9.28(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-(2,3,3-trifluoro-2-phenylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC(C1)C2=CC=CC(=C2)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)C5(CC5)O

DOS

IR

Vibrations