Geometry & MOs

Info

ID:	391059
PubChem CID:	135002555
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	280.133754
ΔH_f, kcal/mol:	-8.22
Dipole, Da:	5.5
IP(EA), eV:	-8.84(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-ethyl-4-(4-methylphenyl)-2-phenyl-1,3-oxazol-3-ium-5-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC(=CC=C2)[N+](=O)[O-])N3CCCCC3

DOS

IR

Vibrations