Geometry & MOs

Info

ID:	28531
PubChem CID:	828149
Reduced:	O4N5H11C12 (1)
Stoich.:	A4B5C11D12 (1)
Weight, g/mol:	328.025084
ΔH_f, kcal/mol:	40.91
Dipole, Da:	4.19
IP(EA), eV:	-9.43(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N(O)O)C(=O)N=NC=C2C=CC=CC2=O

DOS

IR

Vibrations