Geometry & MOs

Info

ID:	41332
PubChem CID:	8145672
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	366.174356
ΔH_f, kcal/mol:	44.83
Dipole, Da:	10.33
IP(EA), eV:	-7.09(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methoxynaphthalen-2-ol

Drug info:

PubChemData

Smile

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations