Geometry & MOs

Info

ID:	401273
PubChem CID:	135050759
Reduced:	SN3O4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	221.056232
ΔH_f, kcal/mol:	-10.55
Dipole, Da:	5.42
IP(EA), eV:	-9.51(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-methyl-2-(4-nitrophenyl)-1,3-oxazol-3-ium-5-ol

Drug info:

PubChemData

Smile

CCOC(=O)CS/N=C(\C#N)/C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations