Geometry & MOs

Info

ID:	143877
PubChem CID:	53274409
Reduced:	ON2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	297.135151
ΔH_f, kcal/mol:	47.81
Dipole, Da:	5.19
IP(EA), eV:	-9.16(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(4-methylphenyl)-4-[(pyridin-3-ylmethylamino)methyl]-2H-oxadiazol-3-ium-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[N+]2=NOC(=C2CNCC3=CN=CC=C3)[O-]

DOS

IR

Vibrations