Geometry & MOs

Info

ID:	41365
PubChem CID:	8145731
Reduced:	FN3O4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	356.152278
ΔH_f, kcal/mol:	-116.31
Dipole, Da:	7.89
IP(EA), eV:	-8.36(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-nitroindazole

Drug info:

PubChemData

Smile

C1CN(CCN1CN2C3=CC4=C(C=C3C(=O)C2=O)OCCO4)C5=CC=C(C=C5)F

DOS

IR

Vibrations