Geometry & MOs

Info

ID:	228147
PubChem CID:	87563527
Reduced:	BNaN8C12H12 (1)
Stoich.:	ABC8D12E12 (1)
Weight, g/mol:	477.159944
ΔH_f, kcal/mol:	10.98
Dipole, Da:	2.28
IP(EA), eV:	-8.54(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-4-(trifluoromethyl)phenyl]-2-piperazin-1-ylbenzamide;2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

[B-](C1=NC=CN1)(C2=NC=CN2)(C3=NC=CN3)C4=NC=CN4.[Na+]

DOS

IR

Vibrations