Geometry & MOs

Info

ID:	401271
PubChem CID:	135050752
Reduced:	N3O4H14C17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	279.066221
ΔH_f, kcal/mol:	-29.8
Dipole, Da:	3.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768062
Charge, e:	0

Chem-info

IUPAC name:

1-[3-hydroxy-5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-3-ium-4-yl]ethanone;chloride

Drug info:

PubChemData

Smile

CO/C(=C(/C(=O)N(C1=CC=CC=C1)C(=O)C2=CC=CC=C2)\[N+]#N)/O

DOS

IR

Vibrations