Geometry & MOs

Info

ID:	32010
PubChem CID:	4242627
Reduced:	N5O8H15C22 (1)
Stoich.:	A5B8C15D22 (1)
Weight, g/mol:	258.064057
ΔH_f, kcal/mol:	-10.22
Dipole, Da:	5.87
IP(EA), eV:	-10.07(-2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[3-(4-nitrophenyl)prop-2-enylidene]-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=C(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations