Geometry & MOs

Info

ID:	124539
PubChem CID:	50887156
Reduced:	INO3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	320.100836
ΔH_f, kcal/mol:	-39.41
Dipole, Da:	3.99
IP(EA), eV:	-8.22(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N=CC2=CC(=C(C(=C2)I)OCC)OC

DOS

IR

Vibrations