Geometry & MOs

Info

ID:	40335
PubChem CID:	8143954
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	415.1604
ΔH_f, kcal/mol:	18.54
Dipole, Da:	8.41
IP(EA), eV:	-9.54(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[(1S)-1-(4-fluorophenoxy)ethyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

C1CC[C@H]2CN(CC[C@@H]2C1)CC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations