Geometry & MOs

Info

ID:	143876
PubChem CID:	53274396
Reduced:	FN2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	296.127326
ΔH_f, kcal/mol:	12.7
Dipole, Da:	3.19
IP(EA), eV:	-8.38(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-4-[(pyridin-3-ylmethylamino)methyl]oxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCNCC2=C3C=CNC3=CC=C2)F

DOS

IR

Vibrations