Geometry & MOs

Info

ID:	167358
PubChem CID:	74815060
Reduced:	NO6C25H29 (1)
Stoich.:	AB6C25D29 (1)
Weight, g/mol:	329.141379
ΔH_f, kcal/mol:	-163.76
Dipole, Da:	1.95
IP(EA), eV:	-8.46(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)OCC=C)C2=CC(=C(C=C2)OCC=C)OC)C(=O)OCC=C)C

DOS

IR

Vibrations