Geometry & MOs

Info

ID:	136226
PubChem CID:	52002195
Reduced:	FON3H16C17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	366.18559
ΔH_f, kcal/mol:	-13.85
Dipole, Da:	1.72
IP(EA), eV:	-8.78(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylindazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=NN2CCC(=O)NCC3=CC=CC=C3F

DOS

IR

Vibrations