Geometry & MOs

Info

ID:	405309
PubChem CID:	135073460
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-17.85
Dipole, Da:	5.87
IP(EA), eV:	-8.74(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3=CCCCC3=[N+](O2)[O-]

DOS

IR

Vibrations