Geometry & MOs

Info

ID:	12067
PubChem CID:	128737
Reduced:	F3N5C19H20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	375.16708
ΔH_f, kcal/mol:	-43.43
Dipole, Da:	4.11
IP(EA), eV:	-8.56(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-azidophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine

Drug info:

PubChemData

Smile

C1CN(CCN1CCC2=CC=C(C=C2)N=[N+]=[N-])C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations