Geometry & MOs

Info

ID:	39851
PubChem CID:	8142571
Reduced:	BrN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	389.064785
ΔH_f, kcal/mol:	-37.95
Dipole, Da:	7.4
IP(EA), eV:	-9.19(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(2,4-dinitrophenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=N\NC(=O)[C@H]2[C@H](CNC2=O)C3=CC=CC=C3)Br

DOS

IR

Vibrations