Geometry & MOs

Info

ID:	401623
PubChem CID:	135051854
Reduced:	INOH14C16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	338.090272
ΔH_f, kcal/mol:	21.07
Dipole, Da:	4.78
IP(EA), eV:	-8.76(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-methyl-4-[(2-nitro-5-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

C1CC(=CC(=O)C1)NC2=C(C3=CC=CC=C3C=C2)I

DOS

IR

Vibrations