Geometry & MOs

Info

ID:	21109
PubChem CID:	587221
Reduced:	ClN2O3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	302.04582
ΔH_f, kcal/mol:	45.52
Dipole, Da:	3.17
IP(EA), eV:	-9.67(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC(C2[N+](=O)[O-])C3=CC=C(C=C3)Cl

DOS

IR

Vibrations