Geometry & MOs

Info

ID:	41294
PubChem CID:	8145619
Reduced:	FSN5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	340.157363
ΔH_f, kcal/mol:	79.14
Dipole, Da:	8.27
IP(EA), eV:	-8.51(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1CN2C(=S)N=C(N2)C3=CC=CC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations