Geometry & MOs

Info

ID:	18088
PubChem CID:	537724
Reduced:	N2O2C7H12 (1)
Stoich.:	A2B2C7D12 (1)
Weight, g/mol:	156.089878
ΔH_f, kcal/mol:	-31.93
Dipole, Da:	7.3
IP(EA), eV:	-9.33(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylbutyl)oxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

CC(C)CC[N+]1=NOC(=C1)[O-]

DOS

IR

Vibrations