Geometry & MOs

Info

ID:	147158
PubChem CID:	53786811
Reduced:	NOC10H10 (2)
Stoich.:	ABC10D10 (2)
Weight, g/mol:	214.119166
ΔH_f, kcal/mol:	53.26
Dipole, Da:	3.91
IP(EA), eV:	-9.02(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-(5-amino-4-methyloxadiazol-3-ium-3-yl)hexanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CC=C)OCC2=CC=CC=C2C(=NOC)C#N

DOS

IR

Vibrations