Geometry & MOs

Info

ID:	137079
PubChem CID:	52150044
Reduced:	FN4H11C16 (1)
Stoich.:	AB4C11D16 (1)
Weight, g/mol:	348.162449
ΔH_f, kcal/mol:	81.3
Dipole, Da:	8.34
IP(EA), eV:	-9.19(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]cinnoline-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(N=N2)C#N)NCC3=CC(=CC=C3)F

DOS

IR

Vibrations