Geometry & MOs

Info

ID:	405308
PubChem CID:	135073459
Reduced:	NOH6C7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	54.81
Dipole, Da:	5.77
IP(EA), eV:	-9.05(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-1-oxido-3,5,6,7-tetrahydro-2,1-benzoxazol-1-ium

Drug info:

PubChemData

Smile

C1CC=C2C(O[N+](=C2C1)[O-])C3=CC=C(C=C3)C#N

DOS

IR

Vibrations