Geometry & MOs

Info

ID:	198356
PubChem CID:	79091599
Reduced:	ON5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	285.072511
ΔH_f, kcal/mol:	8.66
Dipole, Da:	7.24
IP(EA), eV:	-8.96(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4,5-trifluoro-3-hydroxybenzoyl)piperazine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)N2CCN3C(C2)CNC3=O)C

DOS

IR

Vibrations