Geometry & MOs

Info

ID:	54867
PubChem CID:	17389440
Reduced:	N2O3H18C21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	422.130028
ΔH_f, kcal/mol:	-2.43
Dipole, Da:	5.23
IP(EA), eV:	-8.66(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C=CCOC1=CC=C(C=C1)C(=O)NN/C=C\2/C(=O)C=CC3=CC=CC=C32

DOS

IR

Vibrations